USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= -0.0111 (180deg=-0.171) USER MOD Single : A 5 TYR OH : rot 174:sc= 0.0629 USER MOD Single : A 7 TYR OH : rot -34:sc= 0.471 USER MOD Single : A 9 SER OG : rot -37:sc= -0.159 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= -0.155 F(o=-1.4,f=-0.16) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : A 32 HIS : no HE2:sc= 0.615 K(o=0.62,f=-2.1!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.129 USER MOD Single : A 39 GLN : amide:sc= -1.79 K(o=-1.8,f=-3.8!) USER MOD Single : A 44 MET CE :methyl 143:sc= -5.39! (180deg=-8.22!) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0418 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ -151:sc= -2.91 (180deg=-4.65!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N LYS A 3 0.220 -5.660 -1.242 1.00 41.31 N ATOM 40 CA LYS A 3 -0.765 -6.491 -0.560 1.00 3.43 C ATOM 41 C LYS A 3 -0.081 -7.552 0.296 1.00 35.14 C ATOM 42 O LYS A 3 0.766 -8.302 -0.188 1.00 61.43 O ATOM 43 CB LYS A 3 -1.691 -7.160 -1.578 1.00 0.33 C ATOM 44 CG LYS A 3 -2.634 -8.179 -0.963 1.00 73.44 C ATOM 45 CD LYS A 3 -3.707 -8.611 -1.949 1.00 15.11 C ATOM 46 CE LYS A 3 -4.843 -7.601 -2.014 1.00 31.14 C ATOM 47 NZ LYS A 3 -5.686 -7.634 -0.786 1.00 65.41 N ATOM 0 HA LYS A 3 -1.357 -5.849 0.092 1.00 3.43 H new ATOM 0 HB2 LYS A 3 -2.278 -6.392 -2.083 1.00 0.33 H new ATOM 0 HB3 LYS A 3 -1.086 -7.651 -2.340 1.00 0.33 H new ATOM 0 HG2 LYS A 3 -2.067 -9.050 -0.636 1.00 73.44 H new ATOM 0 HG3 LYS A 3 -3.103 -7.753 -0.076 1.00 73.44 H new ATOM 0 HD2 LYS A 3 -3.267 -8.729 -2.939 1.00 15.11 H new ATOM 0 HD3 LYS A 3 -4.100 -9.585 -1.657 1.00 15.11 H new ATOM 0 HE2 LYS A 3 -4.432 -6.600 -2.145 1.00 31.14 H new ATOM 0 HE3 LYS A 3 -5.463 -7.808 -2.886 1.00 31.14 H new ATOM 0 HZ1 LYS A 3 -6.593 -7.160 -0.974 1.00 65.41 H new ATOM 0 HZ2 LYS A 3 -5.862 -8.622 -0.512 1.00 65.41 H new ATOM 0 HZ3 LYS A 3 -5.193 -7.143 -0.013 1.00 65.41 H new ATOM 61 N ILE A 4 -0.456 -7.610 1.570 1.00 75.12 N ATOM 62 CA ILE A 4 0.119 -8.582 2.491 1.00 12.25 C ATOM 63 C ILE A 4 -0.319 -9.999 2.140 1.00 74.41 C ATOM 64 O ILE A 4 -1.472 -10.375 2.353 1.00 14.13 O ATOM 65 CB ILE A 4 -0.279 -8.280 3.948 1.00 12.13 C ATOM 66 CG1 ILE A 4 0.057 -6.830 4.302 1.00 43.21 C ATOM 67 CG2 ILE A 4 0.422 -9.239 4.899 1.00 42.14 C ATOM 68 CD1 ILE A 4 1.532 -6.509 4.197 1.00 12.14 C ATOM 0 H ILE A 4 -1.155 -6.995 1.987 1.00 75.12 H new ATOM 0 HA ILE A 4 1.202 -8.505 2.395 1.00 12.25 H new ATOM 0 HB ILE A 4 -1.355 -8.419 4.051 1.00 12.13 H new ATOM 0 HG12 ILE A 4 -0.499 -6.165 3.642 1.00 43.21 H new ATOM 0 HG13 ILE A 4 -0.280 -6.625 5.318 1.00 43.21 H new ATOM 0 HG21 ILE A 4 0.130 -9.013 5.925 1.00 42.14 H new ATOM 0 HG22 ILE A 4 0.137 -10.263 4.658 1.00 42.14 H new ATOM 0 HG23 ILE A 4 1.502 -9.129 4.796 1.00 42.14 H new ATOM 0 HD11 ILE A 4 1.697 -5.465 4.462 1.00 12.14 H new ATOM 0 HD12 ILE A 4 2.093 -7.149 4.878 1.00 12.14 H new ATOM 0 HD13 ILE A 4 1.870 -6.682 3.175 1.00 12.14 H new ATOM 80 N TYR A 5 0.608 -10.783 1.602 1.00 43.14 N ATOM 81 CA TYR A 5 0.318 -12.160 1.220 1.00 41.23 C ATOM 82 C TYR A 5 0.754 -13.132 2.312 1.00 0.40 C ATOM 83 O TYR A 5 1.576 -12.812 3.171 1.00 21.31 O ATOM 84 CB TYR A 5 1.019 -12.505 -0.095 1.00 64.11 C ATOM 85 CG TYR A 5 0.223 -12.127 -1.324 1.00 21.24 C ATOM 86 CD1 TYR A 5 -1.098 -12.531 -1.471 1.00 20.30 C ATOM 87 CD2 TYR A 5 0.792 -11.365 -2.337 1.00 12.03 C ATOM 88 CE1 TYR A 5 -1.829 -12.189 -2.592 1.00 41.10 C ATOM 89 CE2 TYR A 5 0.068 -11.017 -3.461 1.00 0.44 C ATOM 90 CZ TYR A 5 -1.242 -11.431 -3.584 1.00 23.31 C ATOM 91 OH TYR A 5 -1.967 -11.087 -4.702 1.00 2.05 O ATOM 0 H TYR A 5 1.567 -10.488 1.420 1.00 43.14 H new ATOM 0 HA TYR A 5 -0.760 -12.253 1.085 1.00 41.23 H new ATOM 0 HB2 TYR A 5 1.983 -11.998 -0.127 1.00 64.11 H new ATOM 0 HB3 TYR A 5 1.221 -13.576 -0.119 1.00 64.11 H new ATOM 0 HD1 TYR A 5 -1.561 -13.123 -0.695 1.00 20.30 H new ATOM 0 HD2 TYR A 5 1.818 -11.039 -2.244 1.00 12.03 H new ATOM 0 HE1 TYR A 5 -2.854 -12.513 -2.691 1.00 41.10 H new ATOM 0 HE2 TYR A 5 0.525 -10.424 -4.239 1.00 0.44 H new ATOM 0 HH TYR A 5 -1.441 -10.474 -5.257 1.00 2.05 H new ATOM 101 N PRO A 6 0.191 -14.348 2.279 1.00 34.41 N ATOM 102 CA PRO A 6 0.506 -15.393 3.258 1.00 73.43 C ATOM 103 C PRO A 6 1.921 -15.936 3.091 1.00 73.55 C ATOM 104 O PRO A 6 2.327 -16.309 1.990 1.00 50.05 O ATOM 105 CB PRO A 6 -0.525 -16.484 2.956 1.00 21.21 C ATOM 106 CG PRO A 6 -0.885 -16.280 1.525 1.00 14.52 C ATOM 107 CD PRO A 6 -0.797 -14.798 1.284 1.00 51.12 C ATOM 0 HA PRO A 6 0.464 -15.019 4.281 1.00 73.43 H new ATOM 0 HB2 PRO A 6 -0.110 -17.478 3.122 1.00 21.21 H new ATOM 0 HB3 PRO A 6 -1.399 -16.392 3.601 1.00 21.21 H new ATOM 0 HG2 PRO A 6 -0.204 -16.823 0.870 1.00 14.52 H new ATOM 0 HG3 PRO A 6 -1.889 -16.650 1.318 1.00 14.52 H new ATOM 0 HD2 PRO A 6 -0.474 -14.575 0.267 1.00 51.12 H new ATOM 0 HD3 PRO A 6 -1.761 -14.310 1.426 1.00 51.12 H new ATOM 115 N TYR A 7 2.667 -15.979 4.189 1.00 75.22 N ATOM 116 CA TYR A 7 4.037 -16.475 4.163 1.00 24.30 C ATOM 117 C TYR A 7 4.070 -17.972 3.867 1.00 13.35 C ATOM 118 O TYR A 7 5.006 -18.473 3.245 1.00 41.33 O ATOM 119 CB TYR A 7 4.729 -16.193 5.498 1.00 44.45 C ATOM 120 CG TYR A 7 6.079 -16.861 5.633 1.00 32.24 C ATOM 121 CD1 TYR A 7 7.206 -16.325 5.024 1.00 42.25 C ATOM 122 CD2 TYR A 7 6.226 -18.030 6.371 1.00 42.54 C ATOM 123 CE1 TYR A 7 8.441 -16.932 5.144 1.00 30.42 C ATOM 124 CE2 TYR A 7 7.457 -18.643 6.498 1.00 63.20 C ATOM 125 CZ TYR A 7 8.561 -18.091 5.883 1.00 65.01 C ATOM 126 OH TYR A 7 9.789 -18.700 6.006 1.00 23.11 O ATOM 0 H TYR A 7 2.346 -15.676 5.108 1.00 75.22 H new ATOM 0 HA TYR A 7 4.570 -15.954 3.367 1.00 24.30 H new ATOM 0 HB2 TYR A 7 4.853 -15.116 5.613 1.00 44.45 H new ATOM 0 HB3 TYR A 7 4.084 -16.529 6.310 1.00 44.45 H new ATOM 0 HD1 TYR A 7 7.115 -15.417 4.446 1.00 42.25 H new ATOM 0 HD2 TYR A 7 5.363 -18.466 6.853 1.00 42.54 H new ATOM 0 HE1 TYR A 7 9.307 -16.502 4.663 1.00 30.42 H new ATOM 0 HE2 TYR A 7 7.555 -19.550 7.076 1.00 63.20 H new ATOM 0 HH TYR A 7 10.299 -18.578 5.178 1.00 23.11 H new ATOM 136 N ASP A 8 3.040 -18.679 4.318 1.00 30.35 N ATOM 137 CA ASP A 8 2.948 -20.118 4.102 1.00 72.52 C ATOM 138 C ASP A 8 2.754 -20.434 2.622 1.00 52.11 C ATOM 139 O ASP A 8 3.267 -21.433 2.118 1.00 40.45 O ATOM 140 CB ASP A 8 1.794 -20.706 4.917 1.00 42.44 C ATOM 141 CG ASP A 8 0.526 -19.883 4.801 1.00 41.31 C ATOM 142 OD1 ASP A 8 -0.190 -20.036 3.789 1.00 3.14 O ATOM 143 OD2 ASP A 8 0.250 -19.085 5.721 1.00 11.04 O ATOM 0 H ASP A 8 2.257 -18.279 4.835 1.00 30.35 H new ATOM 0 HA ASP A 8 3.883 -20.570 4.433 1.00 72.52 H new ATOM 0 HB2 ASP A 8 1.596 -21.723 4.579 1.00 42.44 H new ATOM 0 HB3 ASP A 8 2.088 -20.769 5.965 1.00 42.44 H new ATOM 148 N SER A 9 2.009 -19.576 1.932 1.00 71.21 N ATOM 149 CA SER A 9 1.743 -19.766 0.511 1.00 51.02 C ATOM 150 C SER A 9 2.791 -19.052 -0.338 1.00 74.31 C ATOM 151 O SER A 9 2.958 -19.353 -1.521 1.00 3.22 O ATOM 152 CB SER A 9 0.347 -19.250 0.158 1.00 15.33 C ATOM 153 OG SER A 9 -0.464 -19.140 1.316 1.00 43.33 O ATOM 0 H SER A 9 1.579 -18.743 2.334 1.00 71.21 H new ATOM 0 HA SER A 9 1.793 -20.834 0.297 1.00 51.02 H new ATOM 0 HB2 SER A 9 0.427 -18.277 -0.327 1.00 15.33 H new ATOM 0 HB3 SER A 9 -0.124 -19.925 -0.557 1.00 15.33 H new ATOM 0 HG SER A 9 -0.266 -19.882 1.925 1.00 43.33 H new ATOM 159 N LEU A 10 3.493 -18.105 0.274 1.00 64.52 N ATOM 160 CA LEU A 10 4.526 -17.347 -0.424 1.00 71.43 C ATOM 161 C LEU A 10 5.827 -18.140 -0.499 1.00 72.21 C ATOM 162 O LEU A 10 6.513 -18.131 -1.522 1.00 35.31 O ATOM 163 CB LEU A 10 4.769 -16.011 0.280 1.00 64.41 C ATOM 164 CG LEU A 10 3.978 -14.817 -0.254 1.00 72.12 C ATOM 165 CD1 LEU A 10 4.281 -13.569 0.560 1.00 51.22 C ATOM 166 CD2 LEU A 10 4.290 -14.585 -1.725 1.00 71.45 C ATOM 0 H LEU A 10 3.366 -17.844 1.252 1.00 64.52 H new ATOM 0 HA LEU A 10 4.179 -17.158 -1.440 1.00 71.43 H new ATOM 0 HB2 LEU A 10 4.535 -16.133 1.338 1.00 64.41 H new ATOM 0 HB3 LEU A 10 5.831 -15.776 0.214 1.00 64.41 H new ATOM 0 HG LEU A 10 2.915 -15.039 -0.159 1.00 72.12 H new ATOM 0 HD11 LEU A 10 3.709 -12.729 0.165 1.00 51.22 H new ATOM 0 HD12 LEU A 10 4.006 -13.738 1.601 1.00 51.22 H new ATOM 0 HD13 LEU A 10 5.346 -13.344 0.498 1.00 51.22 H new ATOM 0 HD21 LEU A 10 3.718 -13.731 -2.088 1.00 71.45 H new ATOM 0 HD22 LEU A 10 5.355 -14.385 -1.844 1.00 71.45 H new ATOM 0 HD23 LEU A 10 4.021 -15.472 -2.298 1.00 71.45 H new ATOM 178 N ILE A 11 6.159 -18.826 0.589 1.00 21.13 N ATOM 179 CA ILE A 11 7.376 -19.627 0.645 1.00 13.13 C ATOM 180 C ILE A 11 7.438 -20.614 -0.515 1.00 40.14 C ATOM 181 O ILE A 11 6.515 -21.402 -0.725 1.00 43.50 O ATOM 182 CB ILE A 11 7.478 -20.404 1.971 1.00 11.32 C ATOM 183 CG1 ILE A 11 6.189 -21.187 2.229 1.00 63.52 C ATOM 184 CG2 ILE A 11 7.764 -19.451 3.122 1.00 21.24 C ATOM 185 CD1 ILE A 11 6.200 -21.956 3.532 1.00 53.32 C ATOM 0 H ILE A 11 5.603 -18.843 1.444 1.00 21.13 H new ATOM 0 HA ILE A 11 8.214 -18.933 0.574 1.00 13.13 H new ATOM 0 HB ILE A 11 8.303 -21.113 1.897 1.00 11.32 H new ATOM 0 HG12 ILE A 11 5.347 -20.495 2.232 1.00 63.52 H new ATOM 0 HG13 ILE A 11 6.026 -21.884 1.407 1.00 63.52 H new ATOM 0 HG21 ILE A 11 7.833 -20.015 4.052 1.00 21.24 H new ATOM 0 HG22 ILE A 11 8.706 -18.933 2.940 1.00 21.24 H new ATOM 0 HG23 ILE A 11 6.958 -18.721 3.199 1.00 21.24 H new ATOM 0 HD11 ILE A 11 5.255 -22.487 3.649 1.00 53.32 H new ATOM 0 HD12 ILE A 11 7.021 -22.673 3.524 1.00 53.32 H new ATOM 0 HD13 ILE A 11 6.332 -21.263 4.363 1.00 53.32 H new ATOM 197 N VAL A 12 8.534 -20.567 -1.267 1.00 34.12 N ATOM 198 CA VAL A 12 8.719 -21.459 -2.405 1.00 74.21 C ATOM 199 C VAL A 12 8.668 -22.920 -1.972 1.00 75.14 C ATOM 200 O VAL A 12 8.312 -23.800 -2.757 1.00 34.20 O ATOM 201 CB VAL A 12 10.059 -21.192 -3.115 1.00 71.14 C ATOM 202 CG1 VAL A 12 10.235 -19.705 -3.382 1.00 22.01 C ATOM 203 CG2 VAL A 12 11.216 -21.735 -2.291 1.00 20.24 C ATOM 0 H VAL A 12 9.307 -19.920 -1.108 1.00 34.12 H new ATOM 0 HA VAL A 12 7.903 -21.260 -3.099 1.00 74.21 H new ATOM 0 HB VAL A 12 10.052 -21.710 -4.074 1.00 71.14 H new ATOM 0 HG11 VAL A 12 11.187 -19.536 -3.884 1.00 22.01 H new ATOM 0 HG12 VAL A 12 9.422 -19.351 -4.016 1.00 22.01 H new ATOM 0 HG13 VAL A 12 10.221 -19.162 -2.437 1.00 22.01 H new ATOM 0 HG21 VAL A 12 12.155 -21.537 -2.808 1.00 20.24 H new ATOM 0 HG22 VAL A 12 11.229 -21.247 -1.316 1.00 20.24 H new ATOM 0 HG23 VAL A 12 11.095 -22.810 -2.157 1.00 20.24 H new ATOM 213 N THR A 13 9.025 -23.173 -0.717 1.00 43.21 N ATOM 214 CA THR A 13 9.021 -24.527 -0.179 1.00 62.21 C ATOM 215 C THR A 13 7.645 -25.168 -0.314 1.00 73.32 C ATOM 216 O THR A 13 7.526 -26.388 -0.426 1.00 10.44 O ATOM 217 CB THR A 13 9.440 -24.544 1.303 1.00 35.23 C ATOM 218 OG1 THR A 13 9.406 -25.884 1.807 1.00 74.34 O ATOM 219 CG2 THR A 13 8.521 -23.661 2.135 1.00 62.32 C ATOM 0 H THR A 13 9.321 -22.457 -0.054 1.00 43.21 H new ATOM 0 HA THR A 13 9.744 -25.100 -0.760 1.00 62.21 H new ATOM 0 HB THR A 13 10.456 -24.155 1.375 1.00 35.23 H new ATOM 0 HG1 THR A 13 9.675 -25.886 2.749 1.00 74.34 H new ATOM 0 HG21 THR A 13 8.836 -23.689 3.178 1.00 62.32 H new ATOM 0 HG22 THR A 13 8.571 -22.636 1.768 1.00 62.32 H new ATOM 0 HG23 THR A 13 7.497 -24.025 2.056 1.00 62.32 H new ATOM 227 N ASN A 14 6.607 -24.338 -0.304 1.00 71.12 N ATOM 228 CA ASN A 14 5.238 -24.825 -0.426 1.00 15.01 C ATOM 229 C ASN A 14 4.714 -24.626 -1.845 1.00 15.01 C ATOM 230 O ASN A 14 3.530 -24.830 -2.115 1.00 13.34 O ATOM 231 CB ASN A 14 4.328 -24.105 0.571 1.00 34.04 C ATOM 232 CG ASN A 14 3.475 -25.068 1.375 1.00 54.50 C ATOM 233 OD1 ASN A 14 2.186 -25.120 1.060 1.00 21.52 O flip ATOM 234 ND2 ASN A 14 3.969 -25.755 2.268 1.00 73.32 N flip ATOM 0 H ASN A 14 6.688 -23.325 -0.213 1.00 71.12 H new ATOM 0 HA ASN A 14 5.237 -25.892 -0.204 1.00 15.01 H new ATOM 0 HB2 ASN A 14 4.938 -23.509 1.251 1.00 34.04 H new ATOM 0 HB3 ASN A 14 3.681 -23.412 0.033 1.00 34.04 H new ATOM 0 HD21 ASN A 14 4.965 -25.682 2.476 1.00 73.32 H new ATOM 0 HD22 ASN A 14 3.383 -26.397 2.801 1.00 73.32 H new ATOM 241 N ARG A 15 5.603 -24.227 -2.748 1.00 24.31 N ATOM 242 CA ARG A 15 5.231 -24.000 -4.139 1.00 60.20 C ATOM 243 C ARG A 15 4.646 -25.266 -4.759 1.00 4.00 C ATOM 244 O ARG A 15 3.919 -25.204 -5.751 1.00 20.23 O ATOM 245 CB ARG A 15 6.446 -23.539 -4.946 1.00 2.33 C ATOM 246 CG ARG A 15 7.388 -24.669 -5.328 1.00 42.41 C ATOM 247 CD ARG A 15 8.796 -24.156 -5.590 1.00 33.01 C ATOM 248 NE ARG A 15 9.426 -24.839 -6.716 1.00 25.30 N ATOM 249 CZ ARG A 15 10.483 -24.364 -7.366 1.00 12.31 C ATOM 250 NH1 ARG A 15 11.024 -23.209 -7.003 1.00 50.01 N ATOM 251 NH2 ARG A 15 11.000 -25.044 -8.381 1.00 4.11 N ATOM 0 H ARG A 15 6.587 -24.054 -2.541 1.00 24.31 H new ATOM 0 HA ARG A 15 4.471 -23.219 -4.162 1.00 60.20 H new ATOM 0 HB2 ARG A 15 6.102 -23.042 -5.853 1.00 2.33 H new ATOM 0 HB3 ARG A 15 6.997 -22.798 -4.366 1.00 2.33 H new ATOM 0 HG2 ARG A 15 7.412 -25.410 -4.529 1.00 42.41 H new ATOM 0 HG3 ARG A 15 7.012 -25.173 -6.218 1.00 42.41 H new ATOM 0 HD2 ARG A 15 8.760 -23.085 -5.789 1.00 33.01 H new ATOM 0 HD3 ARG A 15 9.404 -24.294 -4.696 1.00 33.01 H new ATOM 0 HE ARG A 15 9.033 -25.730 -7.020 1.00 25.30 H new ATOM 0 HH11 ARG A 15 10.629 -22.683 -6.223 1.00 50.01 H new ATOM 0 HH12 ARG A 15 11.835 -22.846 -7.503 1.00 50.01 H new ATOM 0 HH21 ARG A 15 10.586 -25.932 -8.663 1.00 4.11 H new ATOM 0 HH22 ARG A 15 11.811 -24.678 -8.879 1.00 4.11 H new ATOM 265 N ILE A 16 4.970 -26.411 -4.169 1.00 32.55 N ATOM 266 CA ILE A 16 4.476 -27.691 -4.663 1.00 3.15 C ATOM 267 C ILE A 16 3.015 -27.900 -4.282 1.00 75.31 C ATOM 268 O ILE A 16 2.291 -28.646 -4.943 1.00 24.34 O ATOM 269 CB ILE A 16 5.310 -28.865 -4.116 1.00 44.15 C ATOM 270 CG1 ILE A 16 4.754 -30.195 -4.628 1.00 21.45 C ATOM 271 CG2 ILE A 16 5.327 -28.841 -2.595 1.00 53.44 C ATOM 272 CD1 ILE A 16 4.721 -30.297 -6.136 1.00 53.24 C ATOM 0 H ILE A 16 5.572 -26.479 -3.349 1.00 32.55 H new ATOM 0 HA ILE A 16 4.566 -27.666 -5.749 1.00 3.15 H new ATOM 0 HB ILE A 16 6.335 -28.760 -4.472 1.00 44.15 H new ATOM 0 HG12 ILE A 16 5.359 -31.009 -4.230 1.00 21.45 H new ATOM 0 HG13 ILE A 16 3.744 -30.330 -4.241 1.00 21.45 H new ATOM 0 HG21 ILE A 16 5.920 -29.677 -2.225 1.00 53.44 H new ATOM 0 HG22 ILE A 16 5.765 -27.904 -2.251 1.00 53.44 H new ATOM 0 HG23 ILE A 16 4.308 -28.925 -2.218 1.00 53.44 H new ATOM 0 HD11 ILE A 16 4.315 -31.266 -6.426 1.00 53.24 H new ATOM 0 HD12 ILE A 16 4.092 -29.504 -6.541 1.00 53.24 H new ATOM 0 HD13 ILE A 16 5.732 -30.194 -6.530 1.00 53.24 H new ATOM 284 N ARG A 17 2.586 -27.236 -3.214 1.00 53.42 N ATOM 285 CA ARG A 17 1.210 -27.348 -2.746 1.00 34.21 C ATOM 286 C ARG A 17 0.359 -26.197 -3.275 1.00 5.44 C ATOM 287 O ARG A 17 -0.768 -26.399 -3.726 1.00 21.43 O ATOM 288 CB ARG A 17 1.169 -27.366 -1.217 1.00 33.22 C ATOM 289 CG ARG A 17 2.245 -28.236 -0.589 1.00 23.22 C ATOM 290 CD ARG A 17 2.208 -29.653 -1.140 1.00 22.00 C ATOM 291 NE ARG A 17 3.154 -30.531 -0.457 1.00 23.04 N ATOM 292 CZ ARG A 17 3.283 -31.825 -0.727 1.00 32.22 C ATOM 293 NH1 ARG A 17 2.530 -32.389 -1.661 1.00 52.33 N ATOM 294 NH2 ARG A 17 4.166 -32.559 -0.062 1.00 4.52 N ATOM 0 H ARG A 17 3.172 -26.615 -2.656 1.00 53.42 H new ATOM 0 HA ARG A 17 0.799 -28.284 -3.125 1.00 34.21 H new ATOM 0 HB2 ARG A 17 1.276 -26.346 -0.847 1.00 33.22 H new ATOM 0 HB3 ARG A 17 0.191 -27.721 -0.892 1.00 33.22 H new ATOM 0 HG2 ARG A 17 3.225 -27.797 -0.777 1.00 23.22 H new ATOM 0 HG3 ARG A 17 2.109 -28.261 0.492 1.00 23.22 H new ATOM 0 HD2 ARG A 17 1.200 -30.056 -1.037 1.00 22.00 H new ATOM 0 HD3 ARG A 17 2.436 -29.634 -2.206 1.00 22.00 H new ATOM 0 HE ARG A 17 3.749 -30.128 0.267 1.00 23.04 H new ATOM 0 HH11 ARG A 17 1.849 -31.829 -2.174 1.00 52.33 H new ATOM 0 HH12 ARG A 17 2.631 -33.383 -1.866 1.00 52.33 H new ATOM 0 HH21 ARG A 17 4.747 -32.130 0.658 1.00 4.52 H new ATOM 0 HH22 ARG A 17 4.264 -33.553 -0.271 1.00 4.52 H new ATOM 308 N VAL A 18 0.908 -24.987 -3.215 1.00 72.13 N ATOM 309 CA VAL A 18 0.201 -23.803 -3.688 1.00 74.14 C ATOM 310 C VAL A 18 1.153 -22.834 -4.379 1.00 50.34 C ATOM 311 O VAL A 18 2.225 -22.522 -3.860 1.00 60.41 O ATOM 312 CB VAL A 18 -0.508 -23.073 -2.532 1.00 3.12 C ATOM 313 CG1 VAL A 18 0.485 -22.722 -1.434 1.00 31.31 C ATOM 314 CG2 VAL A 18 -1.213 -21.826 -3.042 1.00 52.34 C ATOM 0 H VAL A 18 1.840 -24.802 -2.844 1.00 72.13 H new ATOM 0 HA VAL A 18 -0.546 -24.146 -4.404 1.00 74.14 H new ATOM 0 HB VAL A 18 -1.260 -23.741 -2.110 1.00 3.12 H new ATOM 0 HG11 VAL A 18 -0.034 -22.207 -0.626 1.00 31.31 H new ATOM 0 HG12 VAL A 18 0.940 -23.635 -1.050 1.00 31.31 H new ATOM 0 HG13 VAL A 18 1.261 -22.073 -1.839 1.00 31.31 H new ATOM 0 HG21 VAL A 18 -1.709 -21.323 -2.212 1.00 52.34 H new ATOM 0 HG22 VAL A 18 -0.482 -21.153 -3.490 1.00 52.34 H new ATOM 0 HG23 VAL A 18 -1.954 -22.107 -3.790 1.00 52.34 H new ATOM 324 N LYS A 19 0.755 -22.358 -5.555 1.00 34.45 N ATOM 325 CA LYS A 19 1.571 -21.422 -6.318 1.00 72.11 C ATOM 326 C LYS A 19 1.201 -19.980 -5.985 1.00 31.34 C ATOM 327 O LYS A 19 0.100 -19.706 -5.504 1.00 63.31 O ATOM 328 CB LYS A 19 1.399 -21.670 -7.818 1.00 41.25 C ATOM 329 CG LYS A 19 -0.030 -21.501 -8.303 1.00 54.42 C ATOM 330 CD LYS A 19 -0.731 -22.841 -8.452 1.00 50.32 C ATOM 331 CE LYS A 19 -2.072 -22.851 -7.735 1.00 33.30 C ATOM 332 NZ LYS A 19 -2.784 -24.148 -7.908 1.00 25.11 N ATOM 0 H LYS A 19 -0.129 -22.606 -6.000 1.00 34.45 H new ATOM 0 HA LYS A 19 2.614 -21.583 -6.046 1.00 72.11 H new ATOM 0 HB2 LYS A 19 2.044 -20.984 -8.367 1.00 41.25 H new ATOM 0 HB3 LYS A 19 1.736 -22.680 -8.052 1.00 41.25 H new ATOM 0 HG2 LYS A 19 -0.582 -20.877 -7.600 1.00 54.42 H new ATOM 0 HG3 LYS A 19 -0.031 -20.980 -9.261 1.00 54.42 H new ATOM 0 HD2 LYS A 19 -0.881 -23.059 -9.509 1.00 50.32 H new ATOM 0 HD3 LYS A 19 -0.097 -23.631 -8.051 1.00 50.32 H new ATOM 0 HE2 LYS A 19 -1.917 -22.660 -6.673 1.00 33.30 H new ATOM 0 HE3 LYS A 19 -2.694 -22.041 -8.117 1.00 33.30 H new ATOM 0 HZ1 LYS A 19 -3.693 -24.115 -7.405 1.00 25.11 H new ATOM 0 HZ2 LYS A 19 -2.954 -24.318 -8.920 1.00 25.11 H new ATOM 0 HZ3 LYS A 19 -2.202 -24.918 -7.521 1.00 25.11 H new ATOM 346 N LEU A 20 2.125 -19.062 -6.244 1.00 24.25 N ATOM 347 CA LEU A 20 1.896 -17.647 -5.972 1.00 73.42 C ATOM 348 C LEU A 20 0.874 -17.065 -6.944 1.00 65.33 C ATOM 349 O LEU A 20 0.715 -17.535 -8.071 1.00 22.40 O ATOM 350 CB LEU A 20 3.209 -16.870 -6.068 1.00 43.44 C ATOM 351 CG LEU A 20 4.433 -17.539 -5.442 1.00 1.23 C ATOM 352 CD1 LEU A 20 5.682 -16.707 -5.689 1.00 13.41 C ATOM 353 CD2 LEU A 20 4.219 -17.752 -3.950 1.00 72.43 C ATOM 0 H LEU A 20 3.040 -19.272 -6.642 1.00 24.25 H new ATOM 0 HA LEU A 20 1.501 -17.556 -4.960 1.00 73.42 H new ATOM 0 HB2 LEU A 20 3.421 -16.683 -7.121 1.00 43.44 H new ATOM 0 HB3 LEU A 20 3.069 -15.899 -5.594 1.00 43.44 H new ATOM 0 HG LEU A 20 4.571 -18.512 -5.913 1.00 1.23 H new ATOM 0 HD11 LEU A 20 6.543 -17.199 -5.236 1.00 13.41 H new ATOM 0 HD12 LEU A 20 5.845 -16.605 -6.762 1.00 13.41 H new ATOM 0 HD13 LEU A 20 5.555 -15.719 -5.246 1.00 13.41 H new ATOM 0 HD21 LEU A 20 5.100 -18.229 -3.521 1.00 72.43 H new ATOM 0 HD22 LEU A 20 4.055 -16.790 -3.465 1.00 72.43 H new ATOM 0 HD23 LEU A 20 3.349 -18.390 -3.795 1.00 72.43 H new ATOM 365 N PRO A 21 0.167 -16.016 -6.501 1.00 54.21 N ATOM 366 CA PRO A 21 -0.850 -15.345 -7.317 1.00 45.23 C ATOM 367 C PRO A 21 -0.240 -14.568 -8.479 1.00 4.41 C ATOM 368 O PRO A 21 0.952 -14.690 -8.764 1.00 10.11 O ATOM 369 CB PRO A 21 -1.523 -14.389 -6.330 1.00 34.03 C ATOM 370 CG PRO A 21 -0.491 -14.132 -5.287 1.00 31.12 C ATOM 371 CD PRO A 21 0.304 -15.403 -5.169 1.00 50.02 C ATOM 0 HA PRO A 21 -1.536 -16.055 -7.778 1.00 45.23 H new ATOM 0 HB2 PRO A 21 -1.829 -13.465 -6.820 1.00 34.03 H new ATOM 0 HB3 PRO A 21 -2.420 -14.833 -5.898 1.00 34.03 H new ATOM 0 HG2 PRO A 21 0.149 -13.296 -5.569 1.00 31.12 H new ATOM 0 HG3 PRO A 21 -0.954 -13.872 -4.335 1.00 31.12 H new ATOM 0 HD2 PRO A 21 1.347 -15.203 -4.924 1.00 50.02 H new ATOM 0 HD3 PRO A 21 -0.089 -16.051 -4.386 1.00 50.02 H new ATOM 379 N LYS A 22 -1.064 -13.767 -9.147 1.00 25.33 N ATOM 380 CA LYS A 22 -0.606 -12.968 -10.277 1.00 3.11 C ATOM 381 C LYS A 22 -0.232 -11.558 -9.830 1.00 72.02 C ATOM 382 O LYS A 22 0.695 -10.952 -10.367 1.00 51.34 O ATOM 383 CB LYS A 22 -1.690 -12.902 -11.354 1.00 73.45 C ATOM 384 CG LYS A 22 -3.053 -12.493 -10.822 1.00 63.11 C ATOM 385 CD LYS A 22 -3.716 -11.462 -11.720 1.00 63.33 C ATOM 386 CE LYS A 22 -2.975 -10.134 -11.685 1.00 75.02 C ATOM 387 NZ LYS A 22 -2.819 -9.550 -13.046 1.00 61.22 N ATOM 0 H LYS A 22 -2.053 -13.654 -8.925 1.00 25.33 H new ATOM 0 HA LYS A 22 0.281 -13.446 -10.692 1.00 3.11 H new ATOM 0 HB2 LYS A 22 -1.383 -12.194 -12.124 1.00 73.45 H new ATOM 0 HB3 LYS A 22 -1.774 -13.877 -11.833 1.00 73.45 H new ATOM 0 HG2 LYS A 22 -3.692 -13.372 -10.742 1.00 63.11 H new ATOM 0 HG3 LYS A 22 -2.945 -12.085 -9.817 1.00 63.11 H new ATOM 0 HD2 LYS A 22 -3.747 -11.836 -12.743 1.00 63.33 H new ATOM 0 HD3 LYS A 22 -4.748 -11.312 -11.404 1.00 63.33 H new ATOM 0 HE2 LYS A 22 -3.516 -9.433 -11.049 1.00 75.02 H new ATOM 0 HE3 LYS A 22 -1.992 -10.278 -11.237 1.00 75.02 H new ATOM 0 HZ1 LYS A 22 -2.309 -8.646 -12.979 1.00 61.22 H new ATOM 0 HZ2 LYS A 22 -2.281 -10.207 -13.646 1.00 61.22 H new ATOM 0 HZ3 LYS A 22 -3.757 -9.388 -13.464 1.00 61.22 H new ATOM 401 N ASP A 23 -0.958 -11.043 -8.844 1.00 74.03 N ATOM 402 CA ASP A 23 -0.701 -9.705 -8.324 1.00 34.23 C ATOM 403 C ASP A 23 0.383 -9.739 -7.251 1.00 51.41 C ATOM 404 O ASP A 23 0.203 -9.207 -6.155 1.00 44.13 O ATOM 405 CB ASP A 23 -1.985 -9.103 -7.750 1.00 41.34 C ATOM 406 CG ASP A 23 -2.866 -8.491 -8.822 1.00 1.43 C ATOM 407 OD1 ASP A 23 -2.317 -7.947 -9.803 1.00 3.00 O ATOM 408 OD2 ASP A 23 -4.105 -8.556 -8.679 1.00 43.13 O ATOM 0 H ASP A 23 -1.729 -11.532 -8.389 1.00 74.03 H new ATOM 0 HA ASP A 23 -0.353 -9.082 -9.148 1.00 34.23 H new ATOM 0 HB2 ASP A 23 -2.543 -9.878 -7.224 1.00 41.34 H new ATOM 0 HB3 ASP A 23 -1.728 -8.340 -7.015 1.00 41.34 H new ATOM 413 N VAL A 24 1.508 -10.368 -7.574 1.00 4.11 N ATOM 414 CA VAL A 24 2.622 -10.471 -6.638 1.00 50.14 C ATOM 415 C VAL A 24 3.960 -10.408 -7.367 1.00 75.32 C ATOM 416 O VAL A 24 4.145 -11.048 -8.402 1.00 73.54 O ATOM 417 CB VAL A 24 2.553 -11.778 -5.826 1.00 3.52 C ATOM 418 CG1 VAL A 24 2.806 -12.979 -6.724 1.00 13.02 C ATOM 419 CG2 VAL A 24 3.549 -11.742 -4.676 1.00 72.41 C ATOM 0 H VAL A 24 1.673 -10.814 -8.476 1.00 4.11 H new ATOM 0 HA VAL A 24 2.543 -9.624 -5.957 1.00 50.14 H new ATOM 0 HB VAL A 24 1.551 -11.873 -5.407 1.00 3.52 H new ATOM 0 HG11 VAL A 24 2.753 -13.893 -6.133 1.00 13.02 H new ATOM 0 HG12 VAL A 24 2.051 -13.011 -7.510 1.00 13.02 H new ATOM 0 HG13 VAL A 24 3.795 -12.895 -7.174 1.00 13.02 H new ATOM 0 HG21 VAL A 24 3.488 -12.673 -4.112 1.00 72.41 H new ATOM 0 HG22 VAL A 24 4.558 -11.623 -5.072 1.00 72.41 H new ATOM 0 HG23 VAL A 24 3.316 -10.904 -4.019 1.00 72.41 H new ATOM 429 N ASP A 25 4.889 -9.633 -6.820 1.00 24.31 N ATOM 430 CA ASP A 25 6.212 -9.488 -7.417 1.00 11.21 C ATOM 431 C ASP A 25 7.230 -10.372 -6.704 1.00 61.33 C ATOM 432 O ASP A 25 7.195 -10.516 -5.482 1.00 54.11 O ATOM 433 CB ASP A 25 6.661 -8.027 -7.363 1.00 40.34 C ATOM 434 CG ASP A 25 6.356 -7.280 -8.647 1.00 15.22 C ATOM 435 OD1 ASP A 25 5.193 -7.331 -9.100 1.00 42.50 O ATOM 436 OD2 ASP A 25 7.279 -6.645 -9.199 1.00 21.14 O ATOM 0 H ASP A 25 4.751 -9.095 -5.964 1.00 24.31 H new ATOM 0 HA ASP A 25 6.150 -9.803 -8.459 1.00 11.21 H new ATOM 0 HB2 ASP A 25 6.166 -7.528 -6.530 1.00 40.34 H new ATOM 0 HB3 ASP A 25 7.733 -7.986 -7.168 1.00 40.34 H new ATOM 441 N ARG A 26 8.136 -10.964 -7.477 1.00 12.35 N ATOM 442 CA ARG A 26 9.162 -11.836 -6.919 1.00 64.13 C ATOM 443 C ARG A 26 10.427 -11.047 -6.591 1.00 74.31 C ATOM 444 O ARG A 26 11.193 -11.422 -5.703 1.00 20.11 O ATOM 445 CB ARG A 26 9.492 -12.963 -7.900 1.00 53.23 C ATOM 446 CG ARG A 26 8.263 -13.616 -8.512 1.00 63.12 C ATOM 447 CD ARG A 26 7.413 -14.303 -7.455 1.00 61.52 C ATOM 448 NE ARG A 26 8.206 -15.188 -6.605 1.00 72.15 N ATOM 449 CZ ARG A 26 8.722 -16.339 -7.022 1.00 42.21 C ATOM 450 NH1 ARG A 26 8.531 -16.742 -8.271 1.00 12.24 N ATOM 451 NH2 ARG A 26 9.432 -17.089 -6.189 1.00 44.12 N ATOM 0 H ARG A 26 8.180 -10.855 -8.490 1.00 12.35 H new ATOM 0 HA ARG A 26 8.774 -12.268 -5.996 1.00 64.13 H new ATOM 0 HB2 ARG A 26 10.118 -12.566 -8.699 1.00 53.23 H new ATOM 0 HB3 ARG A 26 10.078 -13.723 -7.383 1.00 53.23 H new ATOM 0 HG2 ARG A 26 7.667 -12.862 -9.026 1.00 63.12 H new ATOM 0 HG3 ARG A 26 8.572 -14.344 -9.262 1.00 63.12 H new ATOM 0 HD2 ARG A 26 6.924 -13.550 -6.837 1.00 61.52 H new ATOM 0 HD3 ARG A 26 6.625 -14.878 -7.941 1.00 61.52 H new ATOM 0 HE ARG A 26 8.373 -14.907 -5.639 1.00 72.15 H new ATOM 0 HH11 ARG A 26 7.987 -16.168 -8.915 1.00 12.24 H new ATOM 0 HH12 ARG A 26 8.929 -17.626 -8.588 1.00 12.24 H new ATOM 0 HH21 ARG A 26 9.582 -16.782 -5.228 1.00 44.12 H new ATOM 0 HH22 ARG A 26 9.828 -17.973 -6.510 1.00 44.12 H new ATOM 465 N THR A 27 10.639 -9.952 -7.314 1.00 63.13 N ATOM 466 CA THR A 27 11.811 -9.111 -7.102 1.00 34.43 C ATOM 467 C THR A 27 11.854 -8.580 -5.673 1.00 63.34 C ATOM 468 O THR A 27 12.870 -8.700 -4.988 1.00 13.24 O ATOM 469 CB THR A 27 11.834 -7.922 -8.080 1.00 74.14 C ATOM 470 OG1 THR A 27 11.438 -8.355 -9.387 1.00 31.03 O ATOM 471 CG2 THR A 27 13.221 -7.301 -8.145 1.00 32.20 C ATOM 0 H THR A 27 10.014 -9.627 -8.052 1.00 63.13 H new ATOM 0 HA THR A 27 12.686 -9.736 -7.282 1.00 34.43 H new ATOM 0 HB THR A 27 11.133 -7.169 -7.719 1.00 74.14 H new ATOM 0 HG1 THR A 27 11.454 -7.593 -10.003 1.00 31.03 H new ATOM 0 HG21 THR A 27 13.212 -6.463 -8.842 1.00 32.20 H new ATOM 0 HG22 THR A 27 13.508 -6.946 -7.155 1.00 32.20 H new ATOM 0 HG23 THR A 27 13.939 -8.048 -8.484 1.00 32.20 H new ATOM 479 N ARG A 28 10.747 -7.994 -5.231 1.00 33.32 N ATOM 480 CA ARG A 28 10.659 -7.444 -3.883 1.00 64.44 C ATOM 481 C ARG A 28 9.454 -8.014 -3.141 1.00 23.13 C ATOM 482 O ARG A 28 8.517 -7.288 -2.807 1.00 72.13 O ATOM 483 CB ARG A 28 10.564 -5.919 -3.937 1.00 51.45 C ATOM 484 CG ARG A 28 11.747 -5.258 -4.626 1.00 62.31 C ATOM 485 CD ARG A 28 12.747 -4.716 -3.617 1.00 65.31 C ATOM 486 NE ARG A 28 13.368 -3.476 -4.074 1.00 0.32 N ATOM 487 CZ ARG A 28 13.969 -2.612 -3.262 1.00 71.45 C ATOM 488 NH1 ARG A 28 14.030 -2.854 -1.960 1.00 44.13 N ATOM 489 NH2 ARG A 28 14.510 -1.505 -3.754 1.00 24.04 N ATOM 0 H ARG A 28 9.898 -7.887 -5.786 1.00 33.32 H new ATOM 0 HA ARG A 28 11.563 -7.726 -3.343 1.00 64.44 H new ATOM 0 HB2 ARG A 28 9.648 -5.639 -4.458 1.00 51.45 H new ATOM 0 HB3 ARG A 28 10.484 -5.532 -2.921 1.00 51.45 H new ATOM 0 HG2 ARG A 28 12.240 -5.980 -5.277 1.00 62.31 H new ATOM 0 HG3 ARG A 28 11.393 -4.446 -5.261 1.00 62.31 H new ATOM 0 HD2 ARG A 28 12.244 -4.540 -2.666 1.00 65.31 H new ATOM 0 HD3 ARG A 28 13.520 -5.463 -3.435 1.00 65.31 H new ATOM 0 HE ARG A 28 13.339 -3.261 -5.071 1.00 0.32 H new ATOM 0 HH11 ARG A 28 13.615 -3.705 -1.579 1.00 44.13 H new ATOM 0 HH12 ARG A 28 14.492 -2.190 -1.339 1.00 44.13 H new ATOM 0 HH21 ARG A 28 14.465 -1.317 -4.755 1.00 24.04 H new ATOM 0 HH22 ARG A 28 14.971 -0.842 -3.131 1.00 24.04 H new ATOM 503 N LEU A 29 9.486 -9.317 -2.885 1.00 75.42 N ATOM 504 CA LEU A 29 8.396 -9.986 -2.182 1.00 52.52 C ATOM 505 C LEU A 29 8.367 -9.580 -0.712 1.00 74.11 C ATOM 506 O LEU A 29 7.388 -9.829 -0.009 1.00 72.54 O ATOM 507 CB LEU A 29 8.541 -11.504 -2.302 1.00 14.34 C ATOM 508 CG LEU A 29 7.316 -12.328 -1.903 1.00 71.15 C ATOM 509 CD1 LEU A 29 6.141 -12.013 -2.816 1.00 33.01 C ATOM 510 CD2 LEU A 29 7.639 -13.815 -1.941 1.00 13.34 C ATOM 0 H LEU A 29 10.255 -9.932 -3.153 1.00 75.42 H new ATOM 0 HA LEU A 29 7.457 -9.680 -2.643 1.00 52.52 H new ATOM 0 HB2 LEU A 29 8.795 -11.744 -3.334 1.00 14.34 H new ATOM 0 HB3 LEU A 29 9.383 -11.819 -1.685 1.00 14.34 H new ATOM 0 HG LEU A 29 7.039 -12.062 -0.883 1.00 71.15 H new ATOM 0 HD11 LEU A 29 5.278 -12.608 -2.517 1.00 33.01 H new ATOM 0 HD12 LEU A 29 5.895 -10.954 -2.740 1.00 33.01 H new ATOM 0 HD13 LEU A 29 6.407 -12.251 -3.846 1.00 33.01 H new ATOM 0 HD21 LEU A 29 6.756 -14.387 -1.654 1.00 13.34 H new ATOM 0 HD22 LEU A 29 7.941 -14.096 -2.950 1.00 13.34 H new ATOM 0 HD23 LEU A 29 8.451 -14.029 -1.246 1.00 13.34 H new ATOM 522 N GLU A 30 9.446 -8.952 -0.255 1.00 75.01 N ATOM 523 CA GLU A 30 9.542 -8.511 1.131 1.00 11.14 C ATOM 524 C GLU A 30 8.410 -7.547 1.476 1.00 73.43 C ATOM 525 O GLU A 30 7.832 -7.614 2.561 1.00 60.32 O ATOM 526 CB GLU A 30 10.893 -7.838 1.383 1.00 30.31 C ATOM 527 CG GLU A 30 11.021 -6.469 0.738 1.00 54.41 C ATOM 528 CD GLU A 30 12.464 -6.042 0.556 1.00 43.14 C ATOM 529 OE1 GLU A 30 13.319 -6.485 1.350 1.00 4.24 O ATOM 530 OE2 GLU A 30 12.738 -5.265 -0.383 1.00 4.31 O ATOM 0 H GLU A 30 10.265 -8.738 -0.824 1.00 75.01 H new ATOM 0 HA GLU A 30 9.456 -9.389 1.771 1.00 11.14 H new ATOM 0 HB2 GLU A 30 11.045 -7.739 2.458 1.00 30.31 H new ATOM 0 HB3 GLU A 30 11.687 -8.483 1.006 1.00 30.31 H new ATOM 0 HG2 GLU A 30 10.525 -6.481 -0.232 1.00 54.41 H new ATOM 0 HG3 GLU A 30 10.503 -5.732 1.352 1.00 54.41 H new ATOM 537 N ARG A 31 8.099 -6.652 0.544 1.00 10.23 N ATOM 538 CA ARG A 31 7.038 -5.673 0.749 1.00 32.30 C ATOM 539 C ARG A 31 5.671 -6.350 0.771 1.00 34.52 C ATOM 540 O ARG A 31 4.676 -5.751 1.180 1.00 54.24 O ATOM 541 CB ARG A 31 7.075 -4.611 -0.351 1.00 70.34 C ATOM 542 CG ARG A 31 8.282 -3.692 -0.270 1.00 3.52 C ATOM 543 CD ARG A 31 7.931 -2.272 -0.688 1.00 32.32 C ATOM 544 NE ARG A 31 9.120 -1.442 -0.861 1.00 71.40 N ATOM 545 CZ ARG A 31 9.807 -0.922 0.150 1.00 73.10 C ATOM 546 NH1 ARG A 31 9.425 -1.145 1.400 1.00 75.32 N ATOM 547 NH2 ARG A 31 10.879 -0.177 -0.088 1.00 74.02 N ATOM 0 H ARG A 31 8.566 -6.585 -0.360 1.00 10.23 H new ATOM 0 HA ARG A 31 7.203 -5.193 1.714 1.00 32.30 H new ATOM 0 HB2 ARG A 31 7.070 -5.106 -1.322 1.00 70.34 H new ATOM 0 HB3 ARG A 31 6.167 -4.010 -0.295 1.00 70.34 H new ATOM 0 HG2 ARG A 31 8.669 -3.687 0.749 1.00 3.52 H new ATOM 0 HG3 ARG A 31 9.076 -4.075 -0.911 1.00 3.52 H new ATOM 0 HD2 ARG A 31 7.368 -2.298 -1.621 1.00 32.32 H new ATOM 0 HD3 ARG A 31 7.282 -1.823 0.064 1.00 32.32 H new ATOM 0 HE ARG A 31 9.441 -1.251 -1.810 1.00 71.40 H new ATOM 0 HH11 ARG A 31 8.602 -1.717 1.587 1.00 75.32 H new ATOM 0 HH12 ARG A 31 9.955 -0.744 2.174 1.00 75.32 H new ATOM 0 HH21 ARG A 31 11.176 -0.003 -1.048 1.00 74.02 H new ATOM 0 HH22 ARG A 31 11.406 0.222 0.689 1.00 74.02 H new ATOM 561 N HIS A 32 5.629 -7.603 0.329 1.00 63.41 N ATOM 562 CA HIS A 32 4.384 -8.362 0.298 1.00 21.50 C ATOM 563 C HIS A 32 4.202 -9.159 1.586 1.00 34.42 C ATOM 564 O HIS A 32 3.157 -9.774 1.806 1.00 52.23 O ATOM 565 CB HIS A 32 4.367 -9.305 -0.905 1.00 72.35 C ATOM 566 CG HIS A 32 3.903 -8.653 -2.171 1.00 55.41 C ATOM 567 ND1 HIS A 32 2.575 -8.402 -2.446 1.00 34.35 N ATOM 568 CD2 HIS A 32 4.598 -8.196 -3.239 1.00 23.43 C ATOM 569 CE1 HIS A 32 2.474 -7.822 -3.628 1.00 15.00 C ATOM 570 NE2 HIS A 32 3.687 -7.685 -4.130 1.00 65.22 N ATOM 0 H HIS A 32 6.443 -8.114 -0.013 1.00 63.41 H new ATOM 0 HA HIS A 32 3.559 -7.656 0.208 1.00 21.50 H new ATOM 0 HB2 HIS A 32 5.370 -9.704 -1.058 1.00 72.35 H new ATOM 0 HB3 HIS A 32 3.718 -10.152 -0.683 1.00 72.35 H new ATOM 0 HD1 HIS A 32 1.793 -8.629 -1.832 1.00 34.35 H new ATOM 0 HD2 HIS A 32 5.670 -8.228 -3.366 1.00 23.43 H new ATOM 0 HE1 HIS A 32 1.555 -7.512 -4.103 1.00 15.00 H new ATOM 578 N LEU A 33 5.224 -9.146 2.434 1.00 12.44 N ATOM 579 CA LEU A 33 5.177 -9.868 3.701 1.00 13.42 C ATOM 580 C LEU A 33 5.157 -8.899 4.880 1.00 65.35 C ATOM 581 O LEU A 33 5.992 -7.999 4.969 1.00 12.35 O ATOM 582 CB LEU A 33 6.377 -10.809 3.819 1.00 12.23 C ATOM 583 CG LEU A 33 6.118 -12.141 4.523 1.00 61.41 C ATOM 584 CD1 LEU A 33 5.450 -13.125 3.575 1.00 43.05 C ATOM 585 CD2 LEU A 33 7.417 -12.719 5.066 1.00 61.15 C ATOM 0 H LEU A 33 6.096 -8.643 2.267 1.00 12.44 H new ATOM 0 HA LEU A 33 4.259 -10.456 3.722 1.00 13.42 H new ATOM 0 HB2 LEU A 33 6.750 -11.017 2.816 1.00 12.23 H new ATOM 0 HB3 LEU A 33 7.171 -10.287 4.353 1.00 12.23 H new ATOM 0 HG LEU A 33 5.445 -11.962 5.361 1.00 61.41 H new ATOM 0 HD11 LEU A 33 5.274 -14.067 4.094 1.00 43.05 H new ATOM 0 HD12 LEU A 33 4.499 -12.714 3.235 1.00 43.05 H new ATOM 0 HD13 LEU A 33 6.098 -13.300 2.716 1.00 43.05 H new ATOM 0 HD21 LEU A 33 7.213 -13.667 5.564 1.00 61.15 H new ATOM 0 HD22 LEU A 33 8.114 -12.883 4.244 1.00 61.15 H new ATOM 0 HD23 LEU A 33 7.855 -12.021 5.780 1.00 61.15 H new ATOM 597 N SER A 34 4.201 -9.093 5.782 1.00 10.51 N ATOM 598 CA SER A 34 4.072 -8.235 6.955 1.00 60.34 C ATOM 599 C SER A 34 5.410 -8.092 7.673 1.00 65.22 C ATOM 600 O SER A 34 6.340 -8.874 7.470 1.00 34.20 O ATOM 601 CB SER A 34 3.024 -8.802 7.914 1.00 54.10 C ATOM 602 OG SER A 34 3.635 -9.521 8.971 1.00 42.01 O ATOM 0 H SER A 34 3.505 -9.836 5.724 1.00 10.51 H new ATOM 0 HA SER A 34 3.752 -7.248 6.620 1.00 60.34 H new ATOM 0 HB2 SER A 34 2.423 -7.989 8.323 1.00 54.10 H new ATOM 0 HB3 SER A 34 2.345 -9.458 7.369 1.00 54.10 H new ATOM 0 HG SER A 34 2.944 -9.872 9.570 1.00 42.01 H new ATOM 608 N PRO A 35 5.513 -7.069 8.533 1.00 13.45 N ATOM 609 CA PRO A 35 6.732 -6.798 9.300 1.00 3.23 C ATOM 610 C PRO A 35 6.990 -7.852 10.372 1.00 74.15 C ATOM 611 O PRO A 35 8.119 -8.309 10.546 1.00 13.25 O ATOM 612 CB PRO A 35 6.452 -5.438 9.945 1.00 74.12 C ATOM 613 CG PRO A 35 4.966 -5.356 10.025 1.00 23.43 C ATOM 614 CD PRO A 35 4.445 -6.097 8.825 1.00 42.02 C ATOM 0 HA PRO A 35 7.621 -6.811 8.669 1.00 3.23 H new ATOM 0 HB2 PRO A 35 6.906 -5.367 10.933 1.00 74.12 H new ATOM 0 HB3 PRO A 35 6.862 -4.624 9.347 1.00 74.12 H new ATOM 0 HG2 PRO A 35 4.600 -5.803 10.949 1.00 23.43 H new ATOM 0 HG3 PRO A 35 4.632 -4.319 10.019 1.00 23.43 H new ATOM 0 HD2 PRO A 35 3.498 -6.593 9.039 1.00 42.02 H new ATOM 0 HD3 PRO A 35 4.271 -5.427 7.983 1.00 42.02 H new ATOM 622 N GLU A 36 5.935 -8.234 11.085 1.00 71.00 N ATOM 623 CA GLU A 36 6.049 -9.235 12.139 1.00 14.24 C ATOM 624 C GLU A 36 6.440 -10.592 11.562 1.00 51.14 C ATOM 625 O GLU A 36 7.172 -11.357 12.189 1.00 54.22 O ATOM 626 CB GLU A 36 4.728 -9.355 12.904 1.00 64.04 C ATOM 627 CG GLU A 36 4.565 -8.319 14.003 1.00 20.10 C ATOM 628 CD GLU A 36 3.367 -8.594 14.891 1.00 72.44 C ATOM 629 OE1 GLU A 36 3.435 -9.542 15.702 1.00 44.42 O ATOM 630 OE2 GLU A 36 2.361 -7.864 14.774 1.00 1.41 O ATOM 0 H GLU A 36 4.993 -7.866 10.952 1.00 71.00 H new ATOM 0 HA GLU A 36 6.831 -8.913 12.826 1.00 14.24 H new ATOM 0 HB2 GLU A 36 3.901 -9.260 12.201 1.00 64.04 H new ATOM 0 HB3 GLU A 36 4.661 -10.351 13.342 1.00 64.04 H new ATOM 0 HG2 GLU A 36 5.468 -8.297 14.614 1.00 20.10 H new ATOM 0 HG3 GLU A 36 4.460 -7.331 13.554 1.00 20.10 H new ATOM 637 N GLU A 37 5.946 -10.883 10.362 1.00 12.51 N ATOM 638 CA GLU A 37 6.243 -12.148 9.701 1.00 54.45 C ATOM 639 C GLU A 37 7.678 -12.168 9.184 1.00 44.30 C ATOM 640 O GLU A 37 8.370 -13.182 9.279 1.00 51.03 O ATOM 641 CB GLU A 37 5.269 -12.384 8.544 1.00 65.43 C ATOM 642 CG GLU A 37 4.227 -13.451 8.834 1.00 62.22 C ATOM 643 CD GLU A 37 3.437 -13.167 10.096 1.00 1.14 C ATOM 644 OE1 GLU A 37 3.870 -13.610 11.180 1.00 3.05 O ATOM 645 OE2 GLU A 37 2.385 -12.501 10.000 1.00 41.42 O ATOM 0 H GLU A 37 5.339 -10.260 9.829 1.00 12.51 H new ATOM 0 HA GLU A 37 6.128 -12.947 10.433 1.00 54.45 H new ATOM 0 HB2 GLU A 37 4.763 -11.448 8.310 1.00 65.43 H new ATOM 0 HB3 GLU A 37 5.834 -12.671 7.657 1.00 65.43 H new ATOM 0 HG2 GLU A 37 3.542 -13.523 7.989 1.00 62.22 H new ATOM 0 HG3 GLU A 37 4.720 -14.419 8.928 1.00 62.22 H new ATOM 652 N PHE A 38 8.120 -11.040 8.637 1.00 71.13 N ATOM 653 CA PHE A 38 9.472 -10.928 8.103 1.00 4.53 C ATOM 654 C PHE A 38 10.510 -11.130 9.204 1.00 53.02 C ATOM 655 O PHE A 38 11.505 -11.828 9.011 1.00 34.25 O ATOM 656 CB PHE A 38 9.671 -9.561 7.444 1.00 4.04 C ATOM 657 CG PHE A 38 10.463 -9.620 6.169 1.00 4.15 C ATOM 658 CD1 PHE A 38 9.935 -10.219 5.037 1.00 21.13 C ATOM 659 CD2 PHE A 38 11.736 -9.076 6.103 1.00 53.41 C ATOM 660 CE1 PHE A 38 10.662 -10.275 3.863 1.00 21.33 C ATOM 661 CE2 PHE A 38 12.467 -9.128 4.931 1.00 24.44 C ATOM 662 CZ PHE A 38 11.929 -9.728 3.810 1.00 62.22 C ATOM 0 H PHE A 38 7.561 -10.191 8.552 1.00 71.13 H new ATOM 0 HA PHE A 38 9.606 -11.708 7.354 1.00 4.53 H new ATOM 0 HB2 PHE A 38 8.696 -9.121 7.236 1.00 4.04 H new ATOM 0 HB3 PHE A 38 10.177 -8.898 8.146 1.00 4.04 H new ATOM 0 HD1 PHE A 38 8.944 -10.647 5.072 1.00 21.13 H new ATOM 0 HD2 PHE A 38 12.162 -8.606 6.977 1.00 53.41 H new ATOM 0 HE1 PHE A 38 10.240 -10.746 2.988 1.00 21.33 H new ATOM 0 HE2 PHE A 38 13.458 -8.700 4.892 1.00 24.44 H new ATOM 0 HZ PHE A 38 12.498 -9.770 2.893 1.00 62.22 H new ATOM 672 N GLN A 39 10.269 -10.513 10.356 1.00 32.54 N ATOM 673 CA GLN A 39 11.183 -10.625 11.487 1.00 15.23 C ATOM 674 C GLN A 39 11.015 -11.967 12.192 1.00 3.11 C ATOM 675 O GLN A 39 11.928 -12.441 12.867 1.00 20.42 O ATOM 676 CB GLN A 39 10.945 -9.483 12.477 1.00 52.45 C ATOM 677 CG GLN A 39 9.565 -9.507 13.113 1.00 13.25 C ATOM 678 CD GLN A 39 9.485 -10.450 14.298 1.00 40.41 C ATOM 679 OE1 GLN A 39 10.503 -10.808 14.890 1.00 23.41 O ATOM 680 NE2 GLN A 39 8.271 -10.857 14.650 1.00 2.43 N ATOM 0 H GLN A 39 9.450 -9.931 10.531 1.00 32.54 H new ATOM 0 HA GLN A 39 12.202 -10.560 11.106 1.00 15.23 H new ATOM 0 HB2 GLN A 39 11.699 -9.531 13.263 1.00 52.45 H new ATOM 0 HB3 GLN A 39 11.082 -8.532 11.962 1.00 52.45 H new ATOM 0 HG2 GLN A 39 9.300 -8.500 13.436 1.00 13.25 H new ATOM 0 HG3 GLN A 39 8.830 -9.805 12.366 1.00 13.25 H new ATOM 0 HE21 GLN A 39 7.454 -10.535 14.131 1.00 2.43 H new ATOM 0 HE22 GLN A 39 8.155 -11.492 15.440 1.00 2.43 H new ATOM 689 N GLU A 40 9.843 -12.573 12.030 1.00 1.24 N ATOM 690 CA GLU A 40 9.557 -13.860 12.653 1.00 50.00 C ATOM 691 C GLU A 40 10.090 -15.007 11.800 1.00 72.53 C ATOM 692 O GLU A 40 10.494 -16.047 12.320 1.00 31.42 O ATOM 693 CB GLU A 40 8.051 -14.025 12.866 1.00 52.11 C ATOM 694 CG GLU A 40 7.663 -15.371 13.455 1.00 2.10 C ATOM 695 CD GLU A 40 8.248 -15.593 14.836 1.00 34.15 C ATOM 696 OE1 GLU A 40 7.835 -14.881 15.776 1.00 44.31 O ATOM 697 OE2 GLU A 40 9.117 -16.478 14.978 1.00 34.43 O ATOM 0 H GLU A 40 9.077 -12.194 11.473 1.00 1.24 H new ATOM 0 HA GLU A 40 10.058 -13.886 13.621 1.00 50.00 H new ATOM 0 HB2 GLU A 40 7.697 -13.233 13.527 1.00 52.11 H new ATOM 0 HB3 GLU A 40 7.541 -13.895 11.911 1.00 52.11 H new ATOM 0 HG2 GLU A 40 6.577 -15.440 13.509 1.00 2.10 H new ATOM 0 HG3 GLU A 40 8.000 -16.166 12.789 1.00 2.10 H new ATOM 704 N VAL A 41 10.087 -14.811 10.485 1.00 13.41 N ATOM 705 CA VAL A 41 10.570 -15.828 9.559 1.00 53.44 C ATOM 706 C VAL A 41 12.078 -15.722 9.365 1.00 62.32 C ATOM 707 O VAL A 41 12.736 -16.693 8.989 1.00 52.25 O ATOM 708 CB VAL A 41 9.878 -15.712 8.188 1.00 54.15 C ATOM 709 CG1 VAL A 41 8.373 -15.879 8.333 1.00 72.41 C ATOM 710 CG2 VAL A 41 10.213 -14.381 7.532 1.00 3.44 C ATOM 0 H VAL A 41 9.755 -13.957 10.037 1.00 13.41 H new ATOM 0 HA VAL A 41 10.330 -16.796 9.998 1.00 53.44 H new ATOM 0 HB VAL A 41 10.248 -16.511 7.546 1.00 54.15 H new ATOM 0 HG11 VAL A 41 7.901 -15.794 7.354 1.00 72.41 H new ATOM 0 HG12 VAL A 41 8.155 -16.859 8.757 1.00 72.41 H new ATOM 0 HG13 VAL A 41 7.983 -15.104 8.992 1.00 72.41 H new ATOM 0 HG21 VAL A 41 9.715 -14.317 6.564 1.00 3.44 H new ATOM 0 HG22 VAL A 41 9.873 -13.565 8.170 1.00 3.44 H new ATOM 0 HG23 VAL A 41 11.291 -14.306 7.391 1.00 3.44 H new ATOM 720 N PHE A 42 12.621 -14.538 9.625 1.00 43.44 N ATOM 721 CA PHE A 42 14.053 -14.305 9.478 1.00 4.43 C ATOM 722 C PHE A 42 14.790 -14.611 10.779 1.00 11.11 C ATOM 723 O PHE A 42 15.824 -15.278 10.778 1.00 53.33 O ATOM 724 CB PHE A 42 14.316 -12.857 9.059 1.00 12.53 C ATOM 725 CG PHE A 42 14.175 -12.625 7.582 1.00 65.21 C ATOM 726 CD1 PHE A 42 13.241 -13.332 6.842 1.00 11.33 C ATOM 727 CD2 PHE A 42 14.979 -11.701 6.933 1.00 74.54 C ATOM 728 CE1 PHE A 42 13.109 -13.121 5.483 1.00 71.04 C ATOM 729 CE2 PHE A 42 14.851 -11.486 5.573 1.00 31.24 C ATOM 730 CZ PHE A 42 13.916 -12.198 4.847 1.00 12.33 C ATOM 0 H PHE A 42 12.091 -13.725 9.939 1.00 43.44 H new ATOM 0 HA PHE A 42 14.426 -14.974 8.703 1.00 4.43 H new ATOM 0 HB2 PHE A 42 13.624 -12.203 9.589 1.00 12.53 H new ATOM 0 HB3 PHE A 42 15.322 -12.575 9.369 1.00 12.53 H new ATOM 0 HD1 PHE A 42 12.609 -14.057 7.333 1.00 11.33 H new ATOM 0 HD2 PHE A 42 15.713 -11.143 7.495 1.00 74.54 H new ATOM 0 HE1 PHE A 42 12.375 -13.677 4.918 1.00 71.04 H new ATOM 0 HE2 PHE A 42 15.482 -10.762 5.079 1.00 31.24 H new ATOM 0 HZ PHE A 42 13.816 -12.033 3.784 1.00 12.33 H new ATOM 740 N GLY A 43 14.249 -14.117 11.889 1.00 30.40 N ATOM 741 CA GLY A 43 14.867 -14.348 13.182 1.00 44.35 C ATOM 742 C GLY A 43 15.212 -13.057 13.897 1.00 3.14 C ATOM 743 O GLY A 43 15.027 -12.943 15.109 1.00 52.44 O ATOM 0 H GLY A 43 13.394 -13.561 11.916 1.00 30.40 H new ATOM 0 HA2 GLY A 43 14.192 -14.936 13.804 1.00 44.35 H new ATOM 0 HA3 GLY A 43 15.773 -14.939 13.048 1.00 44.35 H new ATOM 747 N MET A 44 15.717 -12.083 13.147 1.00 2.25 N ATOM 748 CA MET A 44 16.089 -10.794 13.719 1.00 44.32 C ATOM 749 C MET A 44 14.864 -9.901 13.891 1.00 23.42 C ATOM 750 O MET A 44 13.731 -10.346 13.711 1.00 33.15 O ATOM 751 CB MET A 44 17.122 -10.097 12.830 1.00 15.22 C ATOM 752 CG MET A 44 16.743 -10.079 11.358 1.00 21.31 C ATOM 753 SD MET A 44 17.596 -11.351 10.406 1.00 23.04 S ATOM 754 CE MET A 44 18.436 -10.351 9.181 1.00 52.53 C ATOM 0 H MET A 44 15.878 -12.162 12.143 1.00 2.25 H new ATOM 0 HA MET A 44 16.526 -10.973 14.701 1.00 44.32 H new ATOM 0 HB2 MET A 44 17.254 -9.072 13.175 1.00 15.22 H new ATOM 0 HB3 MET A 44 18.084 -10.598 12.943 1.00 15.22 H new ATOM 0 HG2 MET A 44 15.666 -10.220 11.262 1.00 21.31 H new ATOM 0 HG3 MET A 44 16.975 -9.100 10.939 1.00 21.31 H new ATOM 0 HE1 MET A 44 19.417 -10.778 8.974 1.00 52.53 H new ATOM 0 HE2 MET A 44 17.848 -10.330 8.263 1.00 52.53 H new ATOM 0 HE3 MET A 44 18.554 -9.336 9.559 1.00 52.53 H new ATOM 764 N SER A 45 15.100 -8.641 14.241 1.00 43.12 N ATOM 765 CA SER A 45 14.015 -7.687 14.441 1.00 24.45 C ATOM 766 C SER A 45 13.720 -6.922 13.155 1.00 32.21 C ATOM 767 O SER A 45 14.612 -6.693 12.338 1.00 73.14 O ATOM 768 CB SER A 45 14.370 -6.707 15.561 1.00 21.23 C ATOM 769 OG SER A 45 14.634 -5.415 15.043 1.00 25.02 O ATOM 0 H SER A 45 16.033 -8.257 14.392 1.00 43.12 H new ATOM 0 HA SER A 45 13.122 -8.244 14.724 1.00 24.45 H new ATOM 0 HB2 SER A 45 13.549 -6.655 16.276 1.00 21.23 H new ATOM 0 HB3 SER A 45 15.243 -7.070 16.103 1.00 21.23 H new ATOM 0 HG SER A 45 14.857 -4.807 15.779 1.00 25.02 H new ATOM 775 N ILE A 46 12.462 -6.530 12.983 1.00 10.03 N ATOM 776 CA ILE A 46 12.048 -5.790 11.798 1.00 43.13 C ATOM 777 C ILE A 46 12.901 -4.540 11.604 1.00 33.34 C ATOM 778 O ILE A 46 13.133 -4.104 10.478 1.00 61.45 O ATOM 779 CB ILE A 46 10.566 -5.379 11.879 1.00 22.02 C ATOM 780 CG1 ILE A 46 10.009 -5.117 10.478 1.00 4.54 C ATOM 781 CG2 ILE A 46 10.406 -4.148 12.758 1.00 15.23 C ATOM 782 CD1 ILE A 46 10.162 -3.681 10.027 1.00 42.03 C ATOM 0 H ILE A 46 11.712 -6.713 13.650 1.00 10.03 H new ATOM 0 HA ILE A 46 12.185 -6.457 10.947 1.00 43.13 H new ATOM 0 HB ILE A 46 10.001 -6.197 12.326 1.00 22.02 H new ATOM 0 HG12 ILE A 46 10.516 -5.769 9.766 1.00 4.54 H new ATOM 0 HG13 ILE A 46 8.953 -5.385 10.460 1.00 4.54 H new ATOM 0 HG21 ILE A 46 9.353 -3.869 12.806 1.00 15.23 H new ATOM 0 HG22 ILE A 46 10.769 -4.368 13.762 1.00 15.23 H new ATOM 0 HG23 ILE A 46 10.981 -3.323 12.337 1.00 15.23 H new ATOM 0 HD11 ILE A 46 9.746 -3.568 9.026 1.00 42.03 H new ATOM 0 HD12 ILE A 46 9.632 -3.025 10.717 1.00 42.03 H new ATOM 0 HD13 ILE A 46 11.219 -3.415 10.013 1.00 42.03 H new ATOM 794 N GLU A 47 13.365 -3.970 12.712 1.00 62.20 N ATOM 795 CA GLU A 47 14.193 -2.771 12.663 1.00 2.05 C ATOM 796 C GLU A 47 15.515 -3.051 11.954 1.00 51.31 C ATOM 797 O GLU A 47 16.019 -2.213 11.206 1.00 33.14 O ATOM 798 CB GLU A 47 14.461 -2.252 14.078 1.00 50.43 C ATOM 799 CG GLU A 47 13.224 -2.224 14.960 1.00 4.02 C ATOM 800 CD GLU A 47 13.405 -1.357 16.191 1.00 42.42 C ATOM 801 OE1 GLU A 47 13.585 -0.131 16.032 1.00 24.24 O ATOM 802 OE2 GLU A 47 13.366 -1.904 17.313 1.00 61.24 O ATOM 0 H GLU A 47 13.182 -4.319 13.653 1.00 62.20 H new ATOM 0 HA GLU A 47 13.653 -2.010 12.100 1.00 2.05 H new ATOM 0 HB2 GLU A 47 15.218 -2.879 14.549 1.00 50.43 H new ATOM 0 HB3 GLU A 47 14.875 -1.246 14.015 1.00 50.43 H new ATOM 0 HG2 GLU A 47 12.378 -1.854 14.381 1.00 4.02 H new ATOM 0 HG3 GLU A 47 12.979 -3.240 15.269 1.00 4.02 H new ATOM 809 N GLU A 48 16.070 -4.234 12.195 1.00 64.20 N ATOM 810 CA GLU A 48 17.334 -4.624 11.580 1.00 0.42 C ATOM 811 C GLU A 48 17.244 -4.549 10.059 1.00 65.44 C ATOM 812 O GLU A 48 18.164 -4.071 9.394 1.00 13.41 O ATOM 813 CB GLU A 48 17.721 -6.040 12.011 1.00 41.12 C ATOM 814 CG GLU A 48 19.195 -6.353 11.818 1.00 24.13 C ATOM 815 CD GLU A 48 19.689 -7.437 12.757 1.00 71.34 C ATOM 816 OE1 GLU A 48 19.671 -7.211 13.985 1.00 65.22 O ATOM 817 OE2 GLU A 48 20.092 -8.511 12.263 1.00 24.14 O ATOM 0 H GLU A 48 15.665 -4.939 12.811 1.00 64.20 H new ATOM 0 HA GLU A 48 18.103 -3.928 11.916 1.00 0.42 H new ATOM 0 HB2 GLU A 48 17.464 -6.174 13.062 1.00 41.12 H new ATOM 0 HB3 GLU A 48 17.128 -6.758 11.444 1.00 41.12 H new ATOM 0 HG2 GLU A 48 19.364 -6.665 10.788 1.00 24.13 H new ATOM 0 HG3 GLU A 48 19.779 -5.446 11.976 1.00 24.13 H new ATOM 824 N PHE A 49 16.131 -5.027 9.513 1.00 32.34 N ATOM 825 CA PHE A 49 15.921 -5.017 8.070 1.00 34.14 C ATOM 826 C PHE A 49 16.016 -3.598 7.517 1.00 75.30 C ATOM 827 O PHE A 49 16.805 -3.325 6.612 1.00 15.23 O ATOM 828 CB PHE A 49 14.557 -5.620 7.728 1.00 14.00 C ATOM 829 CG PHE A 49 14.325 -6.969 8.346 1.00 23.14 C ATOM 830 CD1 PHE A 49 15.337 -7.916 8.375 1.00 53.43 C ATOM 831 CD2 PHE A 49 13.096 -7.291 8.899 1.00 1.10 C ATOM 832 CE1 PHE A 49 15.127 -9.158 8.943 1.00 3.13 C ATOM 833 CE2 PHE A 49 12.881 -8.531 9.469 1.00 30.34 C ATOM 834 CZ PHE A 49 13.897 -9.466 9.490 1.00 23.44 C ATOM 0 H PHE A 49 15.360 -5.426 10.048 1.00 32.34 H new ATOM 0 HA PHE A 49 16.703 -5.621 7.609 1.00 34.14 H new ATOM 0 HB2 PHE A 49 13.774 -4.938 8.060 1.00 14.00 H new ATOM 0 HB3 PHE A 49 14.468 -5.705 6.645 1.00 14.00 H new ATOM 0 HD1 PHE A 49 16.301 -7.680 7.949 1.00 53.43 H new ATOM 0 HD2 PHE A 49 12.297 -6.564 8.884 1.00 1.10 H new ATOM 0 HE1 PHE A 49 15.924 -9.887 8.959 1.00 3.13 H new ATOM 0 HE2 PHE A 49 11.919 -8.769 9.898 1.00 30.34 H new ATOM 0 HZ PHE A 49 13.730 -10.436 9.933 1.00 23.44 H new ATOM 844 N ASP A 50 15.206 -2.700 8.066 1.00 35.15 N ATOM 845 CA ASP A 50 15.197 -1.309 7.629 1.00 4.01 C ATOM 846 C ASP A 50 16.594 -0.703 7.720 1.00 3.41 C ATOM 847 O ASP A 50 16.995 0.088 6.866 1.00 2.31 O ATOM 848 CB ASP A 50 14.218 -0.492 8.473 1.00 35.41 C ATOM 849 CG ASP A 50 14.057 0.926 7.964 1.00 42.35 C ATOM 850 OD1 ASP A 50 14.106 1.124 6.731 1.00 24.41 O ATOM 851 OD2 ASP A 50 13.881 1.839 8.797 1.00 45.31 O ATOM 0 H ASP A 50 14.547 -2.911 8.815 1.00 35.15 H new ATOM 0 HA ASP A 50 14.875 -1.283 6.588 1.00 4.01 H new ATOM 0 HB2 ASP A 50 13.246 -0.986 8.477 1.00 35.41 H new ATOM 0 HB3 ASP A 50 14.567 -0.467 9.505 1.00 35.41 H new ATOM 856 N ARG A 51 17.330 -1.078 8.761 1.00 1.13 N ATOM 857 CA ARG A 51 18.681 -0.569 8.965 1.00 21.31 C ATOM 858 C ARG A 51 19.661 -1.225 7.996 1.00 53.41 C ATOM 859 O ARG A 51 20.699 -0.651 7.663 1.00 20.43 O ATOM 860 CB ARG A 51 19.130 -0.817 10.406 1.00 23.13 C ATOM 861 CG ARG A 51 18.819 0.335 11.348 1.00 71.32 C ATOM 862 CD ARG A 51 17.547 0.078 12.140 1.00 14.22 C ATOM 863 NE ARG A 51 17.424 0.978 13.284 1.00 34.43 N ATOM 864 CZ ARG A 51 17.108 2.263 13.178 1.00 50.44 C ATOM 865 NH1 ARG A 51 16.884 2.798 11.985 1.00 22.20 N ATOM 866 NH2 ARG A 51 17.015 3.018 14.265 1.00 21.55 N ATOM 0 H ARG A 51 17.013 -1.733 9.476 1.00 1.13 H new ATOM 0 HA ARG A 51 18.671 0.504 8.774 1.00 21.31 H new ATOM 0 HB2 ARG A 51 18.646 -1.720 10.778 1.00 23.13 H new ATOM 0 HB3 ARG A 51 20.204 -1.004 10.416 1.00 23.13 H new ATOM 0 HG2 ARG A 51 19.653 0.481 12.034 1.00 71.32 H new ATOM 0 HG3 ARG A 51 18.713 1.256 10.775 1.00 71.32 H new ATOM 0 HD2 ARG A 51 16.683 0.201 11.488 1.00 14.22 H new ATOM 0 HD3 ARG A 51 17.539 -0.955 12.489 1.00 14.22 H new ATOM 0 HE ARG A 51 17.590 0.598 14.216 1.00 34.43 H new ATOM 0 HH11 ARG A 51 16.954 2.222 11.146 1.00 22.20 H new ATOM 0 HH12 ARG A 51 16.641 3.786 11.906 1.00 22.20 H new ATOM 0 HH21 ARG A 51 17.186 2.611 15.185 1.00 21.55 H new ATOM 0 HH22 ARG A 51 16.772 4.005 14.181 1.00 21.55 H new ATOM 880 N LEU A 52 19.324 -2.429 7.547 1.00 50.55 N ATOM 881 CA LEU A 52 20.174 -3.163 6.616 1.00 52.15 C ATOM 882 C LEU A 52 19.999 -2.643 5.192 1.00 2.54 C ATOM 883 O LEU A 52 19.132 -1.810 4.927 1.00 23.33 O ATOM 884 CB LEU A 52 19.849 -4.657 6.668 1.00 42.12 C ATOM 885 CG LEU A 52 20.436 -5.430 7.849 1.00 64.41 C ATOM 886 CD1 LEU A 52 19.823 -6.819 7.935 1.00 24.50 C ATOM 887 CD2 LEU A 52 21.951 -5.520 7.728 1.00 73.24 C ATOM 0 H LEU A 52 18.469 -2.917 7.812 1.00 50.55 H new ATOM 0 HA LEU A 52 21.212 -3.012 6.914 1.00 52.15 H new ATOM 0 HB2 LEU A 52 18.765 -4.772 6.687 1.00 42.12 H new ATOM 0 HB3 LEU A 52 20.203 -5.118 5.746 1.00 42.12 H new ATOM 0 HG LEU A 52 20.196 -4.892 8.766 1.00 64.41 H new ATOM 0 HD11 LEU A 52 20.253 -7.355 8.781 1.00 24.50 H new ATOM 0 HD12 LEU A 52 18.745 -6.733 8.070 1.00 24.50 H new ATOM 0 HD13 LEU A 52 20.031 -7.366 7.016 1.00 24.50 H new ATOM 0 HD21 LEU A 52 22.352 -6.074 8.577 1.00 73.24 H new ATOM 0 HD22 LEU A 52 22.212 -6.035 6.803 1.00 73.24 H new ATOM 0 HD23 LEU A 52 22.375 -4.516 7.717 1.00 73.24 H new ATOM 899 N ALA A 53 20.827 -3.140 4.280 1.00 25.31 N ATOM 900 CA ALA A 53 20.762 -2.729 2.883 1.00 12.12 C ATOM 901 C ALA A 53 19.940 -3.714 2.059 1.00 53.21 C ATOM 902 O ALA A 53 19.552 -4.776 2.547 1.00 11.04 O ATOM 903 CB ALA A 53 22.163 -2.595 2.306 1.00 63.30 C ATOM 0 H ALA A 53 21.552 -3.829 4.483 1.00 25.31 H new ATOM 0 HA ALA A 53 20.269 -1.758 2.838 1.00 12.12 H new ATOM 0 HB1 ALA A 53 22.099 -2.288 1.262 1.00 63.30 H new ATOM 0 HB2 ALA A 53 22.719 -1.847 2.871 1.00 63.30 H new ATOM 0 HB3 ALA A 53 22.676 -3.554 2.371 1.00 63.30 H new ATOM 909 N LEU A 54 19.676 -3.355 0.807 1.00 4.03 N ATOM 910 CA LEU A 54 18.899 -4.207 -0.086 1.00 21.54 C ATOM 911 C LEU A 54 19.572 -5.565 -0.265 1.00 52.42 C ATOM 912 O LEU A 54 18.966 -6.606 -0.014 1.00 61.54 O ATOM 913 CB LEU A 54 18.723 -3.529 -1.445 1.00 54.01 C ATOM 914 CG LEU A 54 17.400 -3.798 -2.163 1.00 35.01 C ATOM 915 CD1 LEU A 54 17.590 -3.747 -3.671 1.00 2.52 C ATOM 916 CD2 LEU A 54 16.828 -5.144 -1.741 1.00 42.03 C ATOM 0 H LEU A 54 19.989 -2.479 0.388 1.00 4.03 H new ATOM 0 HA LEU A 54 17.919 -4.364 0.364 1.00 21.54 H new ATOM 0 HB2 LEU A 54 18.827 -2.453 -1.308 1.00 54.01 H new ATOM 0 HB3 LEU A 54 19.538 -3.847 -2.096 1.00 54.01 H new ATOM 0 HG LEU A 54 16.691 -3.020 -1.881 1.00 35.01 H new ATOM 0 HD11 LEU A 54 16.638 -3.941 -4.164 1.00 2.52 H new ATOM 0 HD12 LEU A 54 17.954 -2.761 -3.959 1.00 2.52 H new ATOM 0 HD13 LEU A 54 18.315 -4.503 -3.972 1.00 2.52 H new ATOM 0 HD21 LEU A 54 15.887 -5.319 -2.262 1.00 42.03 H new ATOM 0 HD22 LEU A 54 17.534 -5.935 -1.993 1.00 42.03 H new ATOM 0 HD23 LEU A 54 16.653 -5.144 -0.665 1.00 42.03 H new ATOM 928 N TRP A 55 20.827 -5.544 -0.699 1.00 11.23 N ATOM 929 CA TRP A 55 21.583 -6.773 -0.910 1.00 32.23 C ATOM 930 C TRP A 55 21.381 -7.742 0.250 1.00 73.31 C ATOM 931 O TRP A 55 21.250 -8.950 0.048 1.00 44.22 O ATOM 932 CB TRP A 55 23.071 -6.459 -1.075 1.00 33.33 C ATOM 933 CG TRP A 55 23.728 -6.012 0.196 1.00 51.12 C ATOM 934 CD1 TRP A 55 23.858 -4.728 0.643 1.00 23.11 C ATOM 935 CD2 TRP A 55 24.346 -6.847 1.181 1.00 12.12 C ATOM 936 NE1 TRP A 55 24.520 -4.715 1.847 1.00 2.22 N ATOM 937 CE2 TRP A 55 24.829 -6.002 2.199 1.00 1.14 C ATOM 938 CE3 TRP A 55 24.536 -8.226 1.304 1.00 51.23 C ATOM 939 CZ2 TRP A 55 25.490 -6.493 3.322 1.00 4.40 C ATOM 940 CZ3 TRP A 55 25.193 -8.711 2.418 1.00 33.33 C ATOM 941 CH2 TRP A 55 25.663 -7.847 3.416 1.00 52.10 C ATOM 0 H TRP A 55 21.342 -4.690 -0.912 1.00 11.23 H new ATOM 0 HA TRP A 55 21.215 -7.244 -1.821 1.00 32.23 H new ATOM 0 HB2 TRP A 55 23.583 -7.346 -1.448 1.00 33.33 H new ATOM 0 HB3 TRP A 55 23.190 -5.682 -1.830 1.00 33.33 H new ATOM 0 HD1 TRP A 55 23.494 -3.852 0.126 1.00 23.11 H new ATOM 0 HE1 TRP A 55 24.745 -3.882 2.391 1.00 2.22 H new ATOM 0 HE3 TRP A 55 24.176 -8.901 0.542 1.00 51.23 H new ATOM 0 HZ2 TRP A 55 25.853 -5.828 4.092 1.00 4.40 H new ATOM 0 HZ3 TRP A 55 25.347 -9.775 2.522 1.00 33.33 H new ATOM 0 HH2 TRP A 55 26.171 -8.258 4.276 1.00 52.10 H new ATOM 952 N LYS A 56 21.355 -7.207 1.466 1.00 41.55 N ATOM 953 CA LYS A 56 21.167 -8.024 2.659 1.00 42.55 C ATOM 954 C LYS A 56 19.744 -8.567 2.727 1.00 15.10 C ATOM 955 O LYS A 56 19.535 -9.761 2.942 1.00 33.00 O ATOM 956 CB LYS A 56 21.473 -7.206 3.915 1.00 2.33 C ATOM 957 CG LYS A 56 21.620 -8.050 5.169 1.00 0.35 C ATOM 958 CD LYS A 56 23.008 -8.660 5.272 1.00 72.14 C ATOM 959 CE LYS A 56 23.222 -9.335 6.618 1.00 42.32 C ATOM 960 NZ LYS A 56 24.642 -9.254 7.059 1.00 64.14 N ATOM 0 H LYS A 56 21.462 -6.210 1.651 1.00 41.55 H new ATOM 0 HA LYS A 56 21.856 -8.867 2.605 1.00 42.55 H new ATOM 0 HB2 LYS A 56 22.392 -6.643 3.756 1.00 2.33 H new ATOM 0 HB3 LYS A 56 20.676 -6.479 4.068 1.00 2.33 H new ATOM 0 HG2 LYS A 56 21.426 -7.435 6.047 1.00 0.35 H new ATOM 0 HG3 LYS A 56 20.873 -8.843 5.164 1.00 0.35 H new ATOM 0 HD2 LYS A 56 23.147 -9.388 4.473 1.00 72.14 H new ATOM 0 HD3 LYS A 56 23.759 -7.883 5.130 1.00 72.14 H new ATOM 0 HE2 LYS A 56 22.582 -8.866 7.365 1.00 42.32 H new ATOM 0 HE3 LYS A 56 22.921 -10.381 6.552 1.00 42.32 H new ATOM 0 HZ1 LYS A 56 24.747 -9.725 7.980 1.00 64.14 H new ATOM 0 HZ2 LYS A 56 25.250 -9.724 6.358 1.00 64.14 H new ATOM 0 HZ3 LYS A 56 24.922 -8.256 7.147 1.00 64.14 H new ATOM 974 N ARG A 57 18.768 -7.683 2.542 1.00 62.44 N ATOM 975 CA ARG A 57 17.365 -8.075 2.582 1.00 35.33 C ATOM 976 C ARG A 57 17.080 -9.184 1.573 1.00 50.53 C ATOM 977 O ARG A 57 16.304 -10.099 1.843 1.00 11.24 O ATOM 978 CB ARG A 57 16.468 -6.869 2.298 1.00 52.04 C ATOM 979 CG ARG A 57 16.863 -5.621 3.070 1.00 50.34 C ATOM 980 CD ARG A 57 15.697 -5.072 3.877 1.00 74.25 C ATOM 981 NE ARG A 57 14.589 -4.654 3.022 1.00 14.21 N ATOM 982 CZ ARG A 57 14.548 -3.486 2.391 1.00 15.52 C ATOM 983 NH1 ARG A 57 15.548 -2.624 2.518 1.00 33.40 N ATOM 984 NH2 ARG A 57 13.505 -3.177 1.631 1.00 14.11 N ATOM 0 H ARG A 57 18.924 -6.691 2.363 1.00 62.44 H new ATOM 0 HA ARG A 57 17.148 -8.453 3.581 1.00 35.33 H new ATOM 0 HB2 ARG A 57 16.496 -6.650 1.231 1.00 52.04 H new ATOM 0 HB3 ARG A 57 15.438 -7.127 2.544 1.00 52.04 H new ATOM 0 HG2 ARG A 57 17.692 -5.853 3.738 1.00 50.34 H new ATOM 0 HG3 ARG A 57 17.217 -4.859 2.375 1.00 50.34 H new ATOM 0 HD2 ARG A 57 15.349 -5.833 4.575 1.00 74.25 H new ATOM 0 HD3 ARG A 57 16.035 -4.224 4.472 1.00 74.25 H new ATOM 0 HE ARG A 57 13.804 -5.294 2.903 1.00 14.21 H new ATOM 0 HH11 ARG A 57 16.351 -2.857 3.101 1.00 33.40 H new ATOM 0 HH12 ARG A 57 15.514 -1.728 2.032 1.00 33.40 H new ATOM 0 HH21 ARG A 57 12.734 -3.837 1.531 1.00 14.11 H new ATOM 0 HH22 ARG A 57 13.475 -2.280 1.147 1.00 14.11 H new ATOM 998 N ASN A 58 17.714 -9.093 0.408 1.00 54.11 N ATOM 999 CA ASN A 58 17.528 -10.087 -0.643 1.00 32.13 C ATOM 1000 C ASN A 58 18.100 -11.437 -0.221 1.00 73.32 C ATOM 1001 O ASN A 58 17.413 -12.458 -0.276 1.00 4.04 O ATOM 1002 CB ASN A 58 18.194 -9.621 -1.939 1.00 11.33 C ATOM 1003 CG ASN A 58 17.250 -8.826 -2.820 1.00 70.25 C ATOM 1004 OD1 ASN A 58 16.101 -9.216 -3.028 1.00 14.44 O ATOM 1005 ND2 ASN A 58 17.733 -7.706 -3.345 1.00 13.31 N ATOM 0 H ASN A 58 18.361 -8.341 0.168 1.00 54.11 H new ATOM 0 HA ASN A 58 16.458 -10.203 -0.814 1.00 32.13 H new ATOM 0 HB2 ASN A 58 19.064 -9.009 -1.698 1.00 11.33 H new ATOM 0 HB3 ASN A 58 18.557 -10.488 -2.490 1.00 11.33 H new ATOM 0 HD21 ASN A 58 17.145 -7.130 -3.948 1.00 13.31 H new ATOM 0 HD22 ASN A 58 18.692 -7.421 -3.145 1.00 13.31 H new ATOM 1012 N ASP A 59 19.360 -11.434 0.199 1.00 32.52 N ATOM 1013 CA ASP A 59 20.024 -12.658 0.632 1.00 62.41 C ATOM 1014 C ASP A 59 19.207 -13.369 1.706 1.00 24.35 C ATOM 1015 O ASP A 59 18.887 -14.552 1.577 1.00 1.33 O ATOM 1016 CB ASP A 59 21.424 -12.344 1.162 1.00 31.12 C ATOM 1017 CG ASP A 59 22.182 -13.592 1.572 1.00 55.32 C ATOM 1018 OD1 ASP A 59 21.737 -14.702 1.210 1.00 44.40 O ATOM 1019 OD2 ASP A 59 23.219 -13.458 2.254 1.00 61.35 O ATOM 0 H ASP A 59 19.942 -10.598 0.249 1.00 32.52 H new ATOM 0 HA ASP A 59 20.111 -13.320 -0.230 1.00 62.41 H new ATOM 0 HB2 ASP A 59 21.989 -11.815 0.395 1.00 31.12 H new ATOM 0 HB3 ASP A 59 21.343 -11.674 2.018 1.00 31.12 H new ATOM 1024 N LEU A 60 18.874 -12.642 2.767 1.00 64.00 N ATOM 1025 CA LEU A 60 18.095 -13.203 3.865 1.00 24.05 C ATOM 1026 C LEU A 60 16.772 -13.769 3.361 1.00 20.40 C ATOM 1027 O LEU A 60 16.310 -14.810 3.830 1.00 43.11 O ATOM 1028 CB LEU A 60 17.834 -12.135 4.929 1.00 70.01 C ATOM 1029 CG LEU A 60 19.073 -11.504 5.565 1.00 11.02 C ATOM 1030 CD1 LEU A 60 18.788 -10.068 5.978 1.00 23.21 C ATOM 1031 CD2 LEU A 60 19.534 -12.323 6.762 1.00 60.53 C ATOM 0 H LEU A 60 19.131 -11.663 2.890 1.00 64.00 H new ATOM 0 HA LEU A 60 18.671 -14.016 4.308 1.00 24.05 H new ATOM 0 HB2 LEU A 60 17.237 -11.342 4.480 1.00 70.01 H new ATOM 0 HB3 LEU A 60 17.230 -12.579 5.720 1.00 70.01 H new ATOM 0 HG LEU A 60 19.873 -11.496 4.825 1.00 11.02 H new ATOM 0 HD11 LEU A 60 19.681 -9.635 6.429 1.00 23.21 H new ATOM 0 HD12 LEU A 60 18.506 -9.486 5.100 1.00 23.21 H new ATOM 0 HD13 LEU A 60 17.973 -10.052 6.701 1.00 23.21 H new ATOM 0 HD21 LEU A 60 20.417 -11.859 7.202 1.00 60.53 H new ATOM 0 HD22 LEU A 60 18.737 -12.363 7.504 1.00 60.53 H new ATOM 0 HD23 LEU A 60 19.779 -13.335 6.438 1.00 60.53 H new ATOM 1043 N LYS A 61 16.167 -13.079 2.401 1.00 54.22 N ATOM 1044 CA LYS A 61 14.898 -13.513 1.829 1.00 71.53 C ATOM 1045 C LYS A 61 15.017 -14.918 1.245 1.00 13.24 C ATOM 1046 O LYS A 61 14.237 -15.809 1.583 1.00 65.55 O ATOM 1047 CB LYS A 61 14.443 -12.536 0.743 1.00 13.41 C ATOM 1048 CG LYS A 61 13.478 -11.475 1.245 1.00 22.12 C ATOM 1049 CD LYS A 61 12.691 -10.852 0.105 1.00 72.44 C ATOM 1050 CE LYS A 61 13.440 -9.684 -0.518 1.00 25.43 C ATOM 1051 NZ LYS A 61 12.551 -8.844 -1.366 1.00 44.34 N ATOM 0 H LYS A 61 16.535 -12.216 2.002 1.00 54.22 H new ATOM 0 HA LYS A 61 14.156 -13.531 2.627 1.00 71.53 H new ATOM 0 HB2 LYS A 61 15.318 -12.046 0.317 1.00 13.41 H new ATOM 0 HB3 LYS A 61 13.967 -13.096 -0.062 1.00 13.41 H new ATOM 0 HG2 LYS A 61 12.789 -11.919 1.963 1.00 22.12 H new ATOM 0 HG3 LYS A 61 14.032 -10.699 1.773 1.00 22.12 H new ATOM 0 HD2 LYS A 61 12.493 -11.606 -0.657 1.00 72.44 H new ATOM 0 HD3 LYS A 61 11.724 -10.510 0.474 1.00 72.44 H new ATOM 0 HE2 LYS A 61 13.876 -9.070 0.270 1.00 25.43 H new ATOM 0 HE3 LYS A 61 14.266 -10.062 -1.121 1.00 25.43 H new ATOM 0 HZ1 LYS A 61 13.110 -8.402 -2.123 1.00 44.34 H new ATOM 0 HZ2 LYS A 61 11.808 -9.439 -1.786 1.00 44.34 H new ATOM 0 HZ3 LYS A 61 12.113 -8.103 -0.782 1.00 44.34 H new ATOM 1065 N LYS A 62 15.997 -15.109 0.370 1.00 44.34 N ATOM 1066 CA LYS A 62 16.221 -16.405 -0.259 1.00 71.21 C ATOM 1067 C LYS A 62 16.406 -17.495 0.792 1.00 12.11 C ATOM 1068 O LYS A 62 15.883 -18.601 0.654 1.00 53.13 O ATOM 1069 CB LYS A 62 17.449 -16.348 -1.171 1.00 54.00 C ATOM 1070 CG LYS A 62 17.250 -15.485 -2.405 1.00 72.11 C ATOM 1071 CD LYS A 62 18.381 -14.484 -2.574 1.00 33.23 C ATOM 1072 CE LYS A 62 18.149 -13.578 -3.773 1.00 14.11 C ATOM 1073 NZ LYS A 62 19.395 -12.875 -4.186 1.00 73.03 N ATOM 0 H LYS A 62 16.650 -14.382 0.080 1.00 44.34 H new ATOM 0 HA LYS A 62 15.343 -16.646 -0.858 1.00 71.21 H new ATOM 0 HB2 LYS A 62 18.296 -15.964 -0.602 1.00 54.00 H new ATOM 0 HB3 LYS A 62 17.707 -17.360 -1.483 1.00 54.00 H new ATOM 0 HG2 LYS A 62 17.190 -16.120 -3.289 1.00 72.11 H new ATOM 0 HG3 LYS A 62 16.301 -14.954 -2.330 1.00 72.11 H new ATOM 0 HD2 LYS A 62 18.471 -13.879 -1.672 1.00 33.23 H new ATOM 0 HD3 LYS A 62 19.324 -15.016 -2.696 1.00 33.23 H new ATOM 0 HE2 LYS A 62 17.772 -14.169 -4.607 1.00 14.11 H new ATOM 0 HE3 LYS A 62 17.381 -12.844 -3.530 1.00 14.11 H new ATOM 0 HZ1 LYS A 62 19.195 -12.267 -5.006 1.00 73.03 H new ATOM 0 HZ2 LYS A 62 19.741 -12.291 -3.398 1.00 73.03 H new ATOM 0 HZ3 LYS A 62 20.120 -13.575 -4.442 1.00 73.03 H new ATOM 1087 N LYS A 63 17.152 -17.175 1.844 1.00 31.41 N ATOM 1088 CA LYS A 63 17.404 -18.126 2.921 1.00 51.41 C ATOM 1089 C LYS A 63 16.109 -18.486 3.643 1.00 43.33 C ATOM 1090 O LYS A 63 15.949 -19.606 4.127 1.00 12.52 O ATOM 1091 CB LYS A 63 18.411 -17.544 3.916 1.00 34.54 C ATOM 1092 CG LYS A 63 19.849 -17.604 3.432 1.00 71.41 C ATOM 1093 CD LYS A 63 20.830 -17.569 4.592 1.00 51.54 C ATOM 1094 CE LYS A 63 20.981 -16.162 5.151 1.00 73.11 C ATOM 1095 NZ LYS A 63 21.739 -16.153 6.432 1.00 25.12 N ATOM 0 H LYS A 63 17.593 -16.264 1.974 1.00 31.41 H new ATOM 0 HA LYS A 63 17.818 -19.034 2.482 1.00 51.41 H new ATOM 0 HB2 LYS A 63 18.148 -16.506 4.120 1.00 34.54 H new ATOM 0 HB3 LYS A 63 18.331 -18.085 4.859 1.00 34.54 H new ATOM 0 HG2 LYS A 63 20.001 -18.515 2.853 1.00 71.41 H new ATOM 0 HG3 LYS A 63 20.044 -16.765 2.764 1.00 71.41 H new ATOM 0 HD2 LYS A 63 20.488 -18.240 5.380 1.00 51.54 H new ATOM 0 HD3 LYS A 63 21.801 -17.936 4.260 1.00 51.54 H new ATOM 0 HE2 LYS A 63 21.493 -15.534 4.422 1.00 73.11 H new ATOM 0 HE3 LYS A 63 19.995 -15.726 5.310 1.00 73.11 H new ATOM 0 HZ1 LYS A 63 21.820 -15.176 6.780 1.00 25.12 H new ATOM 0 HZ2 LYS A 63 21.238 -16.731 7.136 1.00 25.12 H new ATOM 0 HZ3 LYS A 63 22.690 -16.545 6.276 1.00 25.12 H new ATOM 1109 N ALA A 64 15.188 -17.530 3.709 1.00 5.22 N ATOM 1110 CA ALA A 64 13.907 -17.748 4.369 1.00 70.05 C ATOM 1111 C ALA A 64 12.934 -18.478 3.449 1.00 30.42 C ATOM 1112 O ALA A 64 11.766 -18.670 3.791 1.00 62.42 O ATOM 1113 CB ALA A 64 13.314 -16.422 4.821 1.00 31.15 C ATOM 0 H ALA A 64 15.305 -16.597 3.313 1.00 5.22 H new ATOM 0 HA ALA A 64 14.079 -18.374 5.245 1.00 70.05 H new ATOM 0 HB1 ALA A 64 12.357 -16.600 5.312 1.00 31.15 H new ATOM 0 HB2 ALA A 64 13.996 -15.938 5.520 1.00 31.15 H new ATOM 0 HB3 ALA A 64 13.163 -15.777 3.955 1.00 31.15 H new ATOM 1119 N LEU A 65 13.421 -18.883 2.282 1.00 63.14 N ATOM 1120 CA LEU A 65 12.594 -19.592 1.312 1.00 70.53 C ATOM 1121 C LEU A 65 11.551 -18.662 0.702 1.00 15.20 C ATOM 1122 O LEU A 65 10.471 -19.099 0.301 1.00 20.44 O ATOM 1123 CB LEU A 65 11.904 -20.785 1.976 1.00 61.30 C ATOM 1124 CG LEU A 65 12.763 -21.608 2.937 1.00 2.41 C ATOM 1125 CD1 LEU A 65 11.886 -22.458 3.842 1.00 20.44 C ATOM 1126 CD2 LEU A 65 13.741 -22.481 2.164 1.00 32.14 C ATOM 0 H LEU A 65 14.385 -18.733 1.984 1.00 63.14 H new ATOM 0 HA LEU A 65 13.243 -19.953 0.514 1.00 70.53 H new ATOM 0 HB2 LEU A 65 11.034 -20.419 2.521 1.00 61.30 H new ATOM 0 HB3 LEU A 65 11.534 -21.447 1.193 1.00 61.30 H new ATOM 0 HG LEU A 65 13.335 -20.922 3.561 1.00 2.41 H new ATOM 0 HD11 LEU A 65 12.515 -23.037 4.519 1.00 20.44 H new ATOM 0 HD12 LEU A 65 11.227 -21.812 4.422 1.00 20.44 H new ATOM 0 HD13 LEU A 65 11.286 -23.136 3.235 1.00 20.44 H new ATOM 0 HD21 LEU A 65 14.344 -23.060 2.864 1.00 32.14 H new ATOM 0 HD22 LEU A 65 13.188 -23.159 1.514 1.00 32.14 H new ATOM 0 HD23 LEU A 65 14.392 -21.850 1.559 1.00 32.14 H new ATOM 1138 N LEU A 66 11.880 -17.377 0.633 1.00 40.22 N ATOM 1139 CA LEU A 66 10.972 -16.383 0.069 1.00 23.53 C ATOM 1140 C LEU A 66 11.115 -16.313 -1.448 1.00 25.43 C ATOM 1141 O LEU A 66 10.163 -15.990 -2.157 1.00 52.04 O ATOM 1142 CB LEU A 66 11.245 -15.009 0.683 1.00 54.13 C ATOM 1143 CG LEU A 66 10.295 -14.572 1.799 1.00 51.24 C ATOM 1144 CD1 LEU A 66 10.985 -13.590 2.733 1.00 21.30 C ATOM 1145 CD2 LEU A 66 9.032 -13.956 1.214 1.00 62.14 C ATOM 0 H LEU A 66 12.769 -16.998 0.960 1.00 40.22 H new ATOM 0 HA LEU A 66 9.951 -16.683 0.305 1.00 23.53 H new ATOM 0 HB2 LEU A 66 12.262 -15.004 1.076 1.00 54.13 H new ATOM 0 HB3 LEU A 66 11.207 -14.264 -0.112 1.00 54.13 H new ATOM 0 HG LEU A 66 10.013 -15.453 2.375 1.00 51.24 H new ATOM 0 HD11 LEU A 66 10.294 -13.290 3.521 1.00 21.30 H new ATOM 0 HD12 LEU A 66 11.859 -14.065 3.179 1.00 21.30 H new ATOM 0 HD13 LEU A 66 11.297 -12.710 2.170 1.00 21.30 H new ATOM 0 HD21 LEU A 66 8.368 -13.651 2.023 1.00 62.14 H new ATOM 0 HD22 LEU A 66 9.296 -13.086 0.613 1.00 62.14 H new ATOM 0 HD23 LEU A 66 8.526 -14.690 0.586 1.00 62.14 H new ATOM 1157 N PHE A 67 12.311 -16.621 -1.939 1.00 5.33 N ATOM 1158 CA PHE A 67 12.579 -16.594 -3.372 1.00 4.11 C ATOM 1159 C PHE A 67 12.791 -18.005 -3.912 1.00 64.10 C ATOM 1160 O PHE A 67 13.137 -18.920 -3.166 1.00 20.14 O ATOM 1161 CB PHE A 67 13.809 -15.733 -3.666 1.00 44.23 C ATOM 1162 CG PHE A 67 13.574 -14.263 -3.467 1.00 52.11 C ATOM 1163 CD1 PHE A 67 12.294 -13.775 -3.257 1.00 21.11 C ATOM 1164 CD2 PHE A 67 14.632 -13.369 -3.491 1.00 1.34 C ATOM 1165 CE1 PHE A 67 12.074 -12.423 -3.073 1.00 32.02 C ATOM 1166 CE2 PHE A 67 14.418 -12.016 -3.307 1.00 11.23 C ATOM 1167 CZ PHE A 67 13.137 -11.542 -3.099 1.00 22.22 C ATOM 0 H PHE A 67 13.110 -16.892 -1.366 1.00 5.33 H new ATOM 0 HA PHE A 67 11.712 -16.160 -3.870 1.00 4.11 H new ATOM 0 HB2 PHE A 67 14.628 -16.052 -3.022 1.00 44.23 H new ATOM 0 HB3 PHE A 67 14.126 -15.906 -4.694 1.00 44.23 H new ATOM 0 HD1 PHE A 67 11.459 -14.459 -3.237 1.00 21.11 H new ATOM 0 HD2 PHE A 67 15.635 -13.733 -3.655 1.00 1.34 H new ATOM 0 HE1 PHE A 67 11.072 -12.056 -2.909 1.00 32.02 H new ATOM 0 HE2 PHE A 67 15.252 -11.330 -3.326 1.00 11.23 H new ATOM 0 HZ PHE A 67 12.967 -10.485 -2.957 1.00 22.22 H new